N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide

C21H26ClN5O2 — CID 20619862

IUPACN-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(C)C)CC2)c(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C21H26ClN5O2/c1-13(2)27-10-8-15(9-11-27)20(28)25-17-6-4-14(3)24-19(17)21(29)26-18-7-5-16(22)12-23-18/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,28)(H,23,26,29)
InChIKeyVXLDIGFKINURBQ-UHFFFAOYSA-N
MW415.93 g/mol
LogP3.75
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide (PubChem CID 20619862) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
PubChem CID20619862
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC NameN-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(C)C)CC2)c(C(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C21H26ClN5O2/c1-13(2)27-10-8-15(9-11-27)20(28)25-17-6-4-14(3)24-19(17)21(29)26-18-7-5-16(22)12-23-18/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,28)(H,23,26,29)
InChIKeyVXLDIGFKINURBQ-UHFFFAOYSA-N
XLogP3.75
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide (CID 20619862) is N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide is Cc1ccc(NC(=O)C2CCN(C(C)C)CC2)c(C(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide?
The InChIKey is VXLDIGFKINURBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-13(2)27-10-8-15(9-11-27)20(28)25-17-6-4-14(3)24-19(17)21(29)26-18-7-5-16(22)12-23-18/h4-7,12-13,15H,8-11H2,1-3H3,(H,25,28)(H,23,26,29).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-methyl-3-[(1-propan-2-ylpiperidine-4-carbonyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 20619862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).