N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide (PubChem CID 130459960) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide.

Molecular Properties

Compound Name	N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide
PubChem CID	130459960
Molecular Formula	C21H29N5O3
Molecular Weight	399.50 g/mol
Exact Mass	399.23
IUPAC Name	N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide
SMILES	[H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(OC(C)C)nc1NC(C)C
InChI	InChI=1S/C21H29N5O3/c1-11(2)24-19-16(9-22)15(8-18(26-19)29-12(3)4)20(27)23-10-17-13(5)7-14(6)25-21(17)28/h7-9,11-12,22H,10H2,1-6H3,(H,23,27)(H,24,26)(H,25,28)/b22-9+
InChIKey	HYUZPKLMICDTNX-LSFURLLWSA-N
XLogP	2.92
TPSA	119.96 Å²
H-Bond Donors	4
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.50
LogP ≤ 5	2.92
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 N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide (CID 130459960) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide is [H]/N=C/c1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc(OC(C)C)nc1NC(C)C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide?

The InChIKey is HYUZPKLMICDTNX-LSFURLLWSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-11(2)24-19-16(9-22)15(8-18(26-19)29-12(3)4)20(27)23-10-17-13(5)7-14(6)25-21(17)28/h7-9,11-12,22H,10H2,1-6H3,(H,23,27)(H,24,26)(H,25,28)/b22-9+.

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.92, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methanimidoyl-2-(propan-2-ylamino)-6-propan-2-yloxypyridine-4-carboxamide is sourced from PubChem (CID 130459960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).