N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide

C25H25N5O — CID 42274485

IUPACN-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1nc(NCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H25N5O/c31-24(17-20-12-6-7-15-26-20)28-18-23-29-22-14-5-4-13-21(22)25(30-23)27-16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15H,8,11,16-18H2,(H,28,31)(H,27,29,30)
InChIKeyAHMSJSCKNLLYQV-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.93
Rot. Bonds9

About N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide

N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 42274485) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide
PubChem CID42274485
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1nc(NCCCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C25H25N5O/c31-24(17-20-12-6-7-15-26-20)28-18-23-29-22-14-5-4-13-21(22)25(30-23)27-16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15H,8,11,16-18H2,(H,28,31)(H,27,29,30)
InChIKeyAHMSJSCKNLLYQV-UHFFFAOYSA-N
XLogP3.93
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide 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-methylsulfanyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzamide
CID 42343690
2-chloro-6-fluoro-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzamide
CID 26347031
(2S)-2-methoxy-2-phenyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]acetamide
CID 26401749
(4S,6R)-6-methyl-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-sulfanylidene-1,3-diazinane-4-carboxamide
CID 42499579
2-N,4-N-bis(3-phenylpropyl)quinazoline-2,4-diamine
CID 23196584
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
2-[(dimethylamino)methyl]-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21003940
2-naphthalen-1-yl-N-(3-phenylpropyl)acetamide
CID 4807047
2,4-dimethoxy-N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]benzenesulfonamide
CID 42467413
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide (CID 42274485) is N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCc1nc(NCCCc2ccccc2)c2ccccc2n1.
What is the InChIKey of N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is AHMSJSCKNLLYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c31-24(17-20-12-6-7-15-26-20)28-18-23-29-22-14-5-4-13-21(22)25(30-23)27-16-8-11-19-9-2-1-3-10-19/h1-7,9-10,12-15H,8,11,16-18H2,(H,28,31)(H,27,29,30).
What are the key properties of N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide?
N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 411.51 g/mol, XLogP of 3.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-phenylpropylamino)quinazolin-2-yl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 42274485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).