N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide

C20H32N6O2 — CID 91464354

IUPACN-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide
SMILESC=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCNC(=O)C(C)C
InChIInChI=1S/C20H32N6O2/c1-12(2)20(27)22-9-7-8-10-26-16(11-28-25-13(3)4)24-17-18(26)14(5)15(6)23-19(17)21/h12,25H,3,7-11H2,1-2,4-6H3,(H2,21,23)(H,22,27)
InChIKeyRKWRZQYVHMZECO-UHFFFAOYSA-N
MW388.52 g/mol
LogP2.74
Rot. Bonds10

About N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide

N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide (PubChem CID 91464354) has the molecular formula C20H32N6O2 and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide
PubChem CID91464354
Molecular FormulaC20H32N6O2
Molecular Weight388.52 g/mol
Exact Mass388.26
IUPAC NameN-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide
SMILESC=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCNC(=O)C(C)C
InChIInChI=1S/C20H32N6O2/c1-12(2)20(27)22-9-7-8-10-26-16(11-28-25-13(3)4)24-17-18(26)14(5)15(6)23-19(17)21/h12,25H,3,7-11H2,1-2,4-6H3,(H2,21,23)(H,22,27)
InChIKeyRKWRZQYVHMZECO-UHFFFAOYSA-N
XLogP2.74
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide (CID 91464354) is N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide is C=C(C)NOCc1nc2c(N)nc(C)c(C)c2n1CCCCNC(=O)C(C)C.
What is the InChIKey of N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide?
The InChIKey is RKWRZQYVHMZECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O2/c1-12(2)20(27)22-9-7-8-10-26-16(11-28-25-13(3)4)24-17-18(26)14(5)15(6)23-19(17)21/h12,25H,3,7-11H2,1-2,4-6H3,(H2,21,23)(H,22,27).
What are the key properties of N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide?
N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide has a molecular weight of 388.52 g/mol, XLogP of 2.74, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-amino-6,7-dimethyl-2-[(prop-1-en-2-ylamino)oxymethyl]imidazo[4,5-c]pyridin-1-yl]butyl]-2-methylpropanamide is sourced from PubChem (CID 91464354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).