N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide

C21H24ClN5O3 — CID 55993829

IUPACN-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)NCC(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C21H24ClN5O3/c1-14-4-2-6-17(10-14)25-21(30)24-12-19(28)27-9-3-5-15(13-27)20(29)26-18-8-7-16(22)11-23-18/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3,(H,23,26,29)(H2,24,25,30)
InChIKeyCCXABZGPFIIQQS-UHFFFAOYSA-N
MW429.91 g/mol
LogP3.04
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide (PubChem CID 55993829) has the molecular formula C21H24ClN5O3 and a molecular weight of 429.91 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
PubChem CID55993829
Molecular FormulaC21H24ClN5O3
Molecular Weight429.91 g/mol
Exact Mass429.16
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)NCC(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1
InChIInChI=1S/C21H24ClN5O3/c1-14-4-2-6-17(10-14)25-21(30)24-12-19(28)27-9-3-5-15(13-27)20(29)26-18-8-7-16(22)11-23-18/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3,(H,23,26,29)(H2,24,25,30)
InChIKeyCCXABZGPFIIQQS-UHFFFAOYSA-N
XLogP3.04
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.91
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461
N-(5-chloro-2-pyridinyl)-1-[2-(thiophen-2-ylsulfonylamino)acetyl]piperidine-3-carboxamide
CID 55993702
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119856460
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
N-(5-chloro-2-pyridinyl)-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide
CID 119856489

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide (CID 55993829) is N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide is Cc1cccc(NC(=O)NCC(=O)N2CCCC(C(=O)Nc3ccc(Cl)cn3)C2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide?
The InChIKey is CCXABZGPFIIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3/c1-14-4-2-6-17(10-14)25-21(30)24-12-19(28)27-9-3-5-15(13-27)20(29)26-18-8-7-16(22)11-23-18/h2,4,6-8,10-11,15H,3,5,9,12-13H2,1H3,(H,23,26,29)(H2,24,25,30).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide has a molecular weight of 429.91 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-[(3-methylphenyl)carbamoylamino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55993829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).