2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide

C18H20N6O — CID 71041769

IUPAC2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide
SMILESCCCCNc1nc(N)nc2cc(C(=O)Nc3cccnc3)ccc12
InChIInChI=1S/C18H20N6O/c1-2-3-9-21-16-14-7-6-12(10-15(14)23-18(19)24-16)17(25)22-13-5-4-8-20-11-13/h4-8,10-11H,2-3,9H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyHJBZSVUZXZKENK-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.07
Rot. Bonds6

About 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide

2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide (PubChem CID 71041769) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide
PubChem CID71041769
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide
SMILESCCCCNc1nc(N)nc2cc(C(=O)Nc3cccnc3)ccc12
InChIInChI=1S/C18H20N6O/c1-2-3-9-21-16-14-7-6-12(10-15(14)23-18(19)24-16)17(25)22-13-5-4-8-20-11-13/h4-8,10-11H,2-3,9H2,1H3,(H,22,25)(H3,19,21,23,24)
InChIKeyHJBZSVUZXZKENK-UHFFFAOYSA-N
XLogP3.07
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-amino-4-(butylamino)quinazolin-7-yl]methanol;methane;methyl 2-amino-4-(butylamino)quinazoline-7-carboxylate
CID 161054075
3-methyl-4-(propylamino)-N-pyridin-3-ylbenzamide
CID 63210058
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
3-amino-4-bromo-N-pyridin-3-ylbenzamide
CID 61090533
4-(ethylamino)-3,5-difluoro-N-pyridin-3-ylbenzamide
CID 63187094
4-[[(2R)-1-acetamido-2-methylhexan-2-yl]amino]-2-amino-N-phenylpyrido[3,2-d]pyrimidine-7-carboxamide
CID 166010281
N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
CID 142877734
4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
1,3-dimethyl-N-pyridin-3-ylindole-5-carboxamide
CID 145363454
5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066209

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide?
The IUPAC name of 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide (CID 71041769) is 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide.
What is the SMILES notation for 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide?
The canonical SMILES for 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide is CCCCNc1nc(N)nc2cc(C(=O)Nc3cccnc3)ccc12.
What is the InChIKey of 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide?
The InChIKey is HJBZSVUZXZKENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-3-9-21-16-14-7-6-12(10-15(14)23-18(19)24-16)17(25)22-13-5-4-8-20-11-13/h4-8,10-11H,2-3,9H2,1H3,(H,22,25)(H3,19,21,23,24).
What are the key properties of 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide?
2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(butylamino)-N-pyridin-3-ylquinazoline-7-carboxamide is sourced from PubChem (CID 71041769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).