3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide

C32H47N5O3 — CID 89472846

IUPAC3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3CCC(CN4CCOCC4)NC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C32H47N5O3/c1-21-15-22(2)35-32(39)29(21)19-34-31(38)28-16-25(17-30(23(28)3)36(4)27-7-5-6-8-27)24-9-10-26(33-18-24)20-37-11-13-40-14-12-37/h15-17,24,26-27,33H,5-14,18-20H2,1-4H3,(H,34,38)(H,35,39)
InChIKeyIBGAYMBIDNFMAK-UHFFFAOYSA-N
MW549.76 g/mol
LogP3.78
Rot. Bonds8

About 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide

3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide (PubChem CID 89472846) has the molecular formula C32H47N5O3 and a molecular weight of 549.76 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide
PubChem CID89472846
Molecular FormulaC32H47N5O3
Molecular Weight549.76 g/mol
Exact Mass549.37
IUPAC Name3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C3CCC(CN4CCOCC4)NC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C32H47N5O3/c1-21-15-22(2)35-32(39)29(21)19-34-31(38)28-16-25(17-30(23(28)3)36(4)27-7-5-6-8-27)24-9-10-26(33-18-24)20-37-11-13-40-14-12-37/h15-17,24,26-27,33H,5-14,18-20H2,1-4H3,(H,34,38)(H,35,39)
InChIKeyIBGAYMBIDNFMAK-UHFFFAOYSA-N
XLogP3.78
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.76
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide (CID 89472846) is 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide is Cc1cc(C)c(CNC(=O)c2cc(C3CCC(CN4CCOCC4)NC3)cc(N(C)C3CCCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide?
The InChIKey is IBGAYMBIDNFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N5O3/c1-21-15-22(2)35-32(39)29(21)19-34-31(38)28-16-25(17-30(23(28)3)36(4)27-7-5-6-8-27)24-9-10-26(33-18-24)20-37-11-13-40-14-12-37/h15-17,24,26-27,33H,5-14,18-20H2,1-4H3,(H,34,38)(H,35,39).
What are the key properties of 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide?
3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide has a molecular weight of 549.76 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[6-(morpholin-4-ylmethyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 89472846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).