5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid

C17H25N3O4 — CID 52982889

IUPAC5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25N3O4/c1-11-5-6-13(15(21)22)19-14(11)20-9-7-12(8-10-20)18-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyYHVVYVUMGPTCGW-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.58
Rot. Bonds3

About 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid

5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 52982889) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID52982889
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1ccc(C(=O)O)nc1N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H25N3O4/c1-11-5-6-13(15(21)22)19-14(11)20-9-7-12(8-10-20)18-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H,18,23)(H,21,22)
InChIKeyYHVVYVUMGPTCGW-UHFFFAOYSA-N
XLogP2.58
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5,6,7,8-Tetrahydro-1,8-naphthyridine-2-carboxylic acid
CID 51358533
US10513493, Example 24
CID 118301996
US10513493, Example 26
CID 118302022
1-methyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylic acid
CID 24697601
6-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 22726931
6-(4-Methylpiperazin-1-yl)pyridine-2-carboxylicacidhydrochloride
CID 57444906
5-({[(Tert-butoxy)carbonyl]amino}methyl)pyridine-2-carboxylic acid
CID 57656024
6-(Methylamino)pyridine-2-carboxylic acid
CID 62253567
Tert-butyl 4-(6-(ethoxycarbonyl)pyridin-2-yl)piperazine-1-carboxylate
CID 66545194
7-Oxo-7,8-dihydro-1,8-naphthyridine-2-carboxylic acid
CID 67907967
6-[(3S,4R)-3-cyclopropyl-4-(oxane-4-carbonylamino)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 86282891
1,2,3,4-Tetrahydro-1,3-dimethyl-2,4-dioxopyrido(2,3-d)pyrimidine-7-carboxylic acid
CID 24697854

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid (CID 52982889) is 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid is Cc1ccc(C(=O)O)nc1N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is YHVVYVUMGPTCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-5-6-13(15(21)22)19-14(11)20-9-7-12(8-10-20)18-16(23)24-17(2,3)4/h5-6,12H,7-10H2,1-4H3,(H,18,23)(H,21,22).
What are the key properties of 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid?
5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 52982889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).