N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide

C21H20ClN5O — CID 56525542

IUPACN-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide
SMILESN#Cc1c(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn2ccccc12
InChIInChI=1S/C21H20ClN5O/c22-17-6-7-20(24-11-17)25-21(28)15-4-3-8-26(12-15)13-16-14-27-9-2-1-5-19(27)18(16)10-23/h1-2,5-7,9,11,14-15H,3-4,8,12-13H2,(H,24,25,28)
InChIKeyDCINCQRWAIVDKT-UHFFFAOYSA-N
MW393.88 g/mol
LogP3.71
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 56525542) has the molecular formula C21H20ClN5O and a molecular weight of 393.88 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide
PubChem CID56525542
Molecular FormulaC21H20ClN5O
Molecular Weight393.88 g/mol
Exact Mass393.14
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide
SMILESN#Cc1c(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn2ccccc12
InChIInChI=1S/C21H20ClN5O/c22-17-6-7-20(24-11-17)25-21(28)15-4-3-8-26(12-15)13-16-14-27-9-2-1-5-19(27)18(16)10-23/h1-2,5-7,9,11,14-15H,3-4,8,12-13H2,(H,24,25,28)
InChIKeyDCINCQRWAIVDKT-UHFFFAOYSA-N
XLogP3.71
TPSA73.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049
N-(5-chloro-2-pyridinyl)-1-[(6-chloro-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55816155
1-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55995028
(3S)-N-(5-chloro-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 95339286
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
N-(5-chloro-2-pyridinyl)-1-[3-(2-nitroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 55995289
N-(5-chloro-2-pyridinyl)-1-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
CID 55994508
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-chloro-2-pyridinyl)-1-[(4-sulfanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidine-3-carboxamide
CID 55861104
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]indolizine-1-carbonitrile
CID 24674723

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide (CID 56525542) is N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide is N#Cc1c(CN2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)cn2ccccc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is DCINCQRWAIVDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O/c22-17-6-7-20(24-11-17)25-21(28)15-4-3-8-26(12-15)13-16-14-27-9-2-1-5-19(27)18(16)10-23/h1-2,5-7,9,11,14-15H,3-4,8,12-13H2,(H,24,25,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 393.88 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(1-cyanoindolizin-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 56525542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).