N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide

C18H19N5O — CID 110436147

IUPACN-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
SMILESO=C(CCCNc1ncnc2ccccc12)NCc1ccccn1
InChIInChI=1S/C18H19N5O/c24-17(21-12-14-6-3-4-10-19-14)9-5-11-20-18-15-7-1-2-8-16(15)22-13-23-18/h1-4,6-8,10,13H,5,9,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyNRGWWOVQIRJZSU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide

N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide (PubChem CID 110436147) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
PubChem CID110436147
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
SMILESO=C(CCCNc1ncnc2ccccc12)NCc1ccccn1
InChIInChI=1S/C18H19N5O/c24-17(21-12-14-6-3-4-10-19-14)9-5-11-20-18-15-7-1-2-8-16(15)22-13-23-18/h1-4,6-8,10,13H,5,9,11-12H2,(H,21,24)(H,20,22,23)
InChIKeyNRGWWOVQIRJZSU-UHFFFAOYSA-N
XLogP2.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(quinazolin-4-ylamino)butanamide
CID 110436139
N-butan-2-yl-4-(quinazolin-4-ylamino)butanamide
CID 110436131
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069
N-(4-hydroxycyclohexyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436172
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 42537147
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N-tert-butyl-3-(quinazolin-4-ylamino)propanamide
CID 115609152
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N,N-bis(2-methoxyethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436988
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863
N-(4-hydroxyphenyl)-3-(quinazolin-4-ylamino)propanamide
CID 110437211

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide (CID 110436147) is N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide is O=C(CCCNc1ncnc2ccccc12)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide?
The InChIKey is NRGWWOVQIRJZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c24-17(21-12-14-6-3-4-10-19-14)9-5-11-20-18-15-7-1-2-8-16(15)22-13-23-18/h1-4,6-8,10,13H,5,9,11-12H2,(H,21,24)(H,20,22,23).
What are the key properties of N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide?
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide has a molecular weight of 321.38 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide is sourced from PubChem (CID 110436147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).