2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

C20H26N6O5 — CID 155716326

IUPAC2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILES[H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-
InChIKeyQVOOQHYZXQMIBC-HMAPJEAMSA-N
MW430.47 g/mol
LogP1.15
Rot. Bonds5

About 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid

2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (PubChem CID 155716326) has the molecular formula C20H26N6O5 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
PubChem CID155716326
Molecular FormulaC20H26N6O5
Molecular Weight430.47 g/mol
Exact Mass430.20
IUPAC Name2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
SMILES[H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-
InChIKeyQVOOQHYZXQMIBC-HMAPJEAMSA-N
XLogP1.15
TPSA171.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid with MolForge

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Related Compounds

2-[1-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
CID 155259990
2-[1-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
CID 155255702
4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 131429193
tert-butyl N-[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamate;tert-butyl 3-[[1-(5-methylpyrimidin-2-yl)cyclopropyl]carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tert-butyl 3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate;tetrakis(carbon dioxide);1-(5-methylpyrimidin-2-yl)cyclopropan-1-amine
CID 176543557
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
[1-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-ethoxy-2-oxoethylidene]azanium
CID 155732023
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 11357887
tert-butyl 6-chloro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxylate
CID 83844719
tert-butyl 4-amino-5-(5-chloro-2,4-dihydroxybenzoyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 89060728
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 22116092
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
tert-butyl 4-amino-5-[C-formyl-N-(4-phenylbut-3-ynyl)carbonimidoyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 155731957

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid (CID 155716326) is 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is [H]/N=C(\C(=O)NC1(c2ncc(C(=O)O)cn2)CC1)C1=C(N)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
The InChIKey is QVOOQHYZXQMIBC-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H26N6O5/c1-19(2,3)31-18(30)26-7-4-13(21)12(10-26)14(22)15(27)25-20(5-6-20)17-23-8-11(9-24-17)16(28)29/h8-9,22H,4-7,10,21H2,1-3H3,(H,25,27)(H,28,29)/b22-14-.
What are the key properties of 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid?
2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid has a molecular weight of 430.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2-iminoacetyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155716326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).