3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide

C17H18N6O — CID 133409598

IUPAC3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNc2ncnc3nc(N)ccc23)c1
InChIInChI=1S/C17H18N6O/c1-2-19-17(24)12-5-3-4-11(8-12)9-20-15-13-6-7-14(18)23-16(13)22-10-21-15/h3-8,10H,2,9H2,1H3,(H,19,24)(H3,18,20,21,22,23)
InChIKeyRKWIBVKCZRAMLK-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.97
Rot. Bonds5

About 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide

3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide (PubChem CID 133409598) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
PubChem CID133409598
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CNc2ncnc3nc(N)ccc23)c1
InChIInChI=1S/C17H18N6O/c1-2-19-17(24)12-5-3-4-11(8-12)9-20-15-13-6-7-14(18)23-16(13)22-10-21-15/h3-8,10H,2,9H2,1H3,(H,19,24)(H3,18,20,21,22,23)
InChIKeyRKWIBVKCZRAMLK-UHFFFAOYSA-N
XLogP1.97
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133409050
N-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133408616
1-[4-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 133409466
N-ethyl-3-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]benzamide
CID 133317052
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
4-N-[[4-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133408154
4-N-[[2-(ethoxymethyl)phenyl]methyl]pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133396106
methyl 3-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]benzoate
CID 71092931
N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 136530357
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-[[(2-amino-2-methylpentanoyl)amino]methyl]-N-ethylbenzamide
CID 119734851
3-[[(2-cyanoquinolin-4-yl)amino]methyl]-N-ethylbenzamide
CID 133317053

Frequently Asked Questions

What is the IUPAC name of 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide?
The IUPAC name of 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide (CID 133409598) is 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide.
What is the SMILES notation for 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide?
The canonical SMILES for 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide is CCNC(=O)c1cccc(CNc2ncnc3nc(N)ccc23)c1.
What is the InChIKey of 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide?
The InChIKey is RKWIBVKCZRAMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-2-19-17(24)12-5-3-4-11(8-12)9-20-15-13-6-7-14(18)23-16(13)22-10-21-15/h3-8,10H,2,9H2,1H3,(H,19,24)(H3,18,20,21,22,23).
What are the key properties of 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide?
3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide has a molecular weight of 322.37 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(7-aminopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-N-ethylbenzamide is sourced from PubChem (CID 133409598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).