[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C24H26N4O — CID 133414635

IUPAC[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(Nc2ncccc2C(=O)N2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C24H26N4O/c1-18-9-7-10-19(17-18)22(21-12-3-4-13-25-21)27-23-20(11-8-14-26-23)24(29)28-15-5-2-6-16-28/h3-4,7-14,17,22H,2,5-6,15-16H2,1H3,(H,26,27)
InChIKeyBZTWNBBHQKBLJH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.61
Rot. Bonds5

About [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133414635) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133414635
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cccc(C(Nc2ncccc2C(=O)N2CCCCC2)c2ccccn2)c1
InChIInChI=1S/C24H26N4O/c1-18-9-7-10-19(17-18)22(21-12-3-4-13-25-21)27-23-20(11-8-14-26-23)24(29)28-15-5-2-6-16-28/h3-4,7-14,17,22H,2,5-6,15-16H2,1H3,(H,26,27)
InChIKeyBZTWNBBHQKBLJH-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(6-methyl-2-pyridinyl)ethylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 135089846
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
CID 133414724
1-[2-(propan-2-ylamino)pyridine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349576
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046
2,2-dimethyl-N-[(R)-(3-methylphenyl)-pyridin-2-ylmethyl]morpholine-4-carboxamide
CID 97330861
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
2-(benzhydrylamino)pyridine-3-carboxylic acid
CID 82341815
5-methyl-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133414822
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
3-chloro-N-[(3-methylphenyl)-pyridin-2-ylmethyl]-5-nitropyridin-2-amine
CID 133414774
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377

Frequently Asked Questions

What is the IUPAC name of [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133414635) is [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1cccc(C(Nc2ncccc2C(=O)N2CCCCC2)c2ccccn2)c1.
What is the InChIKey of [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is BZTWNBBHQKBLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-9-7-10-19(17-18)22(21-12-3-4-13-25-21)27-23-20(11-8-14-26-23)24(29)28-15-5-2-6-16-28/h3-4,7-14,17,22H,2,5-6,15-16H2,1H3,(H,26,27).
What are the key properties of [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 386.50 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133414635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).