[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C18H21ClN4O — CID 133271116

IUPAC[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)n1
InChIInChI=1S/C18H21ClN4O/c1-13-6-5-7-15(22-13)12-21-17-16(19)10-14(11-20-17)18(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,21)
InChIKeyUIPCAUMQCSAMHX-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.68
Rot. Bonds4

About [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133271116) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133271116
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)n1
InChIInChI=1S/C18H21ClN4O/c1-13-6-5-7-15(22-13)12-21-17-16(19)10-14(11-20-17)18(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,21)
InChIKeyUIPCAUMQCSAMHX-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[6-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271152
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271056
N-[3-[[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]methyl]phenyl]butanamide
CID 133271009
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-[(5-chloro-2-methoxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271011
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133271116) is [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1cccc(CNc2ncc(C(=O)N3CCCCC3)cc2Cl)n1.
What is the InChIKey of [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is UIPCAUMQCSAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13-6-5-7-15(22-13)12-21-17-16(19)10-14(11-20-17)18(24)23-8-3-2-4-9-23/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,21).
What are the key properties of [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 344.85 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133271116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).