N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C16H22N4O3 — CID 154851307

IUPACN-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCN(C(=O)C3CCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-5-6-20(9-11)16(23)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1
InChIKeySPXAXDVDRCOPFP-LLVKDONJSA-N
MW318.38 g/mol
LogP0.46
Rot. Bonds4

About N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154851307) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154851307
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCN(C(=O)C3CCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-5-6-20(9-11)16(23)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1
InChIKeySPXAXDVDRCOPFP-LLVKDONJSA-N
XLogP0.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3R*,4S*)-4-cyclopropyl-1-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-pyrrolidinyl}cyclobutanecarboxamide
CID 136264115
2-(3-fluorocyclobutyl)-N-[(1S,5R)-3-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 154876455
N-[(4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a][1,4]diazepin-2-yl)methyl]cyclobutanecarboxamide
CID 97382295
1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-5-oxo-3-pyrrolidinecarboxamide
CID 136231847
1-acetyl-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-L-prolinamide
CID 136662249
4-[1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136804059
4-[(2S)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869792
4-[(2R)-1-(cyclobutanecarbonyl)pyrrolidin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136869793
(3R)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 136916468
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 136916469
N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)-L-prolinamide
CID 136988472
1-Ethyl-4-{[[(6-hydroxy-2-methylpyrimidin-4-yl)methyl](methyl)amino]methyl}pyrrolidin-2-one
CID 137290009

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 154851307) is N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NC[C@H]2CCN(C(=O)C3CCC3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is SPXAXDVDRCOPFP-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-5-6-20(9-11)16(23)12-3-2-4-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154851307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).