3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide

About 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide

3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide (PubChem CID 130460078) has the molecular formula C31H46N6O2 and a molecular weight of 534.75 g/mol. Its IUPAC name is 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide.

Molecular Properties

Compound Name	3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide
PubChem CID	130460078
Molecular Formula	C31H46N6O2
Molecular Weight	534.75 g/mol
Exact Mass	534.37
IUPAC Name	3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide
SMILES	[H]/N=C/c1c(NC2CCCC2)cc(C2CCN(CCCN(C)C)CC2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O
InChI	InChI=1S/C31H46N6O2/c1-21-16-22(2)34-31(39)28(21)20-33-30(38)26-17-24(18-29(27(26)19-32)35-25-8-5-6-9-25)23-10-14-37(15-11-23)13-7-12-36(3)4/h16-19,23,25,32,35H,5-15,20H2,1-4H3,(H,33,38)(H,34,39)/b32-19+
InChIKey	NDLHLCOOMHTAKJ-BIZUNTBRSA-N
XLogP	4.41
TPSA	104.32 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	11
Heavy Atoms	39
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.75
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide?

The IUPAC name of 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide (CID 130460078) is 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide.

What is the SMILES notation for 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide?

The canonical SMILES for 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide is [H]/N=C/c1c(NC2CCCC2)cc(C2CCN(CCCN(C)C)CC2)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O.

What is the InChIKey of 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide?

The InChIKey is NDLHLCOOMHTAKJ-BIZUNTBRSA-N. The full InChI is InChI=1S/C31H46N6O2/c1-21-16-22(2)34-31(39)28(21)20-33-30(38)26-17-24(18-29(27(26)19-32)35-25-8-5-6-9-25)23-10-14-37(15-11-23)13-7-12-36(3)4/h16-19,23,25,32,35H,5-15,20H2,1-4H3,(H,33,38)(H,34,39)/b32-19+.

What are the key properties of 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide?

3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide has a molecular weight of 534.75 g/mol, XLogP of 4.41, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(cyclopentylamino)-5-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methanimidoylbenzamide is sourced from PubChem (CID 130460078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).