N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide

C16H15N5O — CID 110436040

IUPACN-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
SMILESO=C(CNc1ncnc2ccccc12)NCc1cccnc1
InChIInChI=1S/C16H15N5O/c22-15(18-9-12-4-3-7-17-8-12)10-19-16-13-5-1-2-6-14(13)20-11-21-16/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyYAGRZWWEPUAPKR-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.75
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide

N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide (PubChem CID 110436040) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
PubChem CID110436040
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC NameN-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide
SMILESO=C(CNc1ncnc2ccccc12)NCc1cccnc1
InChIInChI=1S/C16H15N5O/c22-15(18-9-12-4-3-7-17-8-12)10-19-16-13-5-1-2-6-14(13)20-11-21-16/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21)
InChIKeyYAGRZWWEPUAPKR-UHFFFAOYSA-N
XLogP1.75
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-2-(quinazolin-4-ylamino)acetamide
CID 39165546
N-(2-methylpropyl)-2-(quinazolin-4-ylamino)acetamide
CID 49226597
4-(pyridin-3-ylmethylamino)quinazoline-7-carboxylate
CID 6984765
2-(2-methylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999506
2-(quinazolin-4-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110446261
N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
CID 90319300
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
CID 174799439
2-(2,3-dichloroanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 108999597
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
N-(4-tert-butylphenyl)-2-(quinazolin-4-ylamino)acetamide
CID 110437164
4-(pyridin-3-ylmethylamino)quinazoline-5-carboxylic acid;hydrochloride
CID 20982511
3-oxo-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 102234842

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide (CID 110436040) is N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide is O=C(CNc1ncnc2ccccc12)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide?
The InChIKey is YAGRZWWEPUAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c22-15(18-9-12-4-3-7-17-8-12)10-19-16-13-5-1-2-6-14(13)20-11-21-16/h1-8,11H,9-10H2,(H,18,22)(H,19,20,21).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide?
N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide has a molecular weight of 293.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(quinazolin-4-ylamino)acetamide is sourced from PubChem (CID 110436040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).