6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid

C16H17ClN6O3 — CID 121409332

IUPAC6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid
SMILESNC(=O)c1nc(C2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)ccc1N
InChIInChI=1S/C16H17ClN6O3/c17-16-21-11(15(25)26)7-12(22-16)23-5-3-8(4-6-23)10-2-1-9(18)13(20-10)14(19)24/h1-2,7-8H,3-6,18H2,(H2,19,24)(H,25,26)
InChIKeyBRSQTWQOGHJDFX-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.29
Rot. Bonds4

About 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid (PubChem CID 121409332) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid
PubChem CID121409332
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid
SMILESNC(=O)c1nc(C2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)ccc1N
InChIInChI=1S/C16H17ClN6O3/c17-16-21-11(15(25)26)7-12(22-16)23-5-3-8(4-6-23)10-2-1-9(18)13(20-10)14(19)24/h1-2,7-8H,3-6,18H2,(H2,19,24)(H,25,26)
InChIKeyBRSQTWQOGHJDFX-UHFFFAOYSA-N
XLogP1.29
TPSA148.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
CID 145103464
3-amino-6-[1-[6-(azetidine-1-carbonyl)-2-methoxypyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide;oxolane
CID 145103338
3-amino-6-[1-[6-(3,3-difluoropyrrolidine-1-carbonyl)-2-[(1-ethynylcyclopropyl)methoxy]pyrimidin-4-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 126680756
3-amino-6-piperidin-4-ylpyridine-2-carboxylic acid
CID 115032604
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-[[(1S,2R)-2-cyanocyclopropyl]methoxy]-1,3,5-triazine-2-carboxylic acid
CID 121409478
2-amino-6-piperazin-1-ylpyrimidine-4-carboxylic acid
CID 165494645
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxypropan-2-yl]-1,3,5-triazine-2-carboxamide
CID 121408993
2-(4-aminophenyl)-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 143633269
4-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-N-[(2R)-butan-2-yl]-6-[(2,2-difluorocyclopropyl)methoxy]-1,3,5-triazine-2-carboxamide
CID 126680686
6-[4-(6-carbamoyl-5-methyl-2-pyridinyl)piperidin-1-yl]-2-[(2,2-difluorocyclopropyl)methoxy]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrimidine-4-carboxamide
CID 126680665
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid?
The IUPAC name of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid (CID 121409332) is 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid is NC(=O)c1nc(C2CCN(c3cc(C(=O)O)nc(Cl)n3)CC2)ccc1N.
What is the InChIKey of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid?
The InChIKey is BRSQTWQOGHJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c17-16-21-11(15(25)26)7-12(22-16)23-5-3-8(4-6-23)10-2-1-9(18)13(20-10)14(19)24/h1-2,7-8H,3-6,18H2,(H2,19,24)(H,25,26).
What are the key properties of 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid?
6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid has a molecular weight of 376.80 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloropyrimidine-4-carboxylic acid is sourced from PubChem (CID 121409332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).