3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide

C14H15N7O — CID 42537147

IUPAC3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCc1ccccn1
InChIInChI=1S/C14H15N7O/c22-11(17-7-10-3-1-2-5-15-10)4-6-16-13-12-14(19-8-18-12)21-9-20-13/h1-3,5,8-9H,4,6-7H2,(H,17,22)(H2,16,18,19,20,21)
InChIKeyRCDTWMGNOBTFMM-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.87
Rot. Bonds6

About 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide

3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 42537147) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID42537147
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide
SMILESO=C(CCNc1ncnc2nc[nH]c12)NCc1ccccn1
InChIInChI=1S/C14H15N7O/c22-11(17-7-10-3-1-2-5-15-10)4-6-16-13-12-14(19-8-18-12)21-9-20-13/h1-3,5,8-9H,4,6-7H2,(H,17,22)(H2,16,18,19,20,21)
InChIKeyRCDTWMGNOBTFMM-UHFFFAOYSA-N
XLogP0.87
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-3-(7H-purin-6-ylamino)propanamide
CID 47299148
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(pyridin-2-ylmethyl)propanamide
CID 75509069
N-(pyridin-2-ylmethyl)-4-(quinazolin-4-ylamino)butanamide
CID 110436147
N-(3-imidazol-1-ylpropyl)-3-(7H-purin-6-ylamino)propanamide
CID 42536499
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(7H-purin-6-ylamino)propanamide
CID 42507459
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-(7H-purin-6-ylamino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 42569285
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
3-(2-cyanoanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023302
2-(3-fluorophenyl)-N-[2-(7H-purin-6-ylamino)ethyl]acetamide
CID 51102003

Frequently Asked Questions

What is the IUPAC name of 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide (CID 42537147) is 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide is O=C(CCNc1ncnc2nc[nH]c12)NCc1ccccn1.
What is the InChIKey of 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is RCDTWMGNOBTFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c22-11(17-7-10-3-1-2-5-15-10)4-6-16-13-12-14(19-8-18-12)21-9-20-13/h1-3,5,8-9H,4,6-7H2,(H,17,22)(H2,16,18,19,20,21).
What are the key properties of 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide?
3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 297.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7H-purin-6-ylamino)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 42537147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).