5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride

C17H19ClN4O — CID 169003420

IUPAC5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
SMILESCl.NCc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1
InChIInChI=1S/C17H18N4O.ClH/c18-9-11-2-1-3-12(8-11)14-6-7-19-16-15(14)10-21(13-4-5-13)17(22)20-16;/h1-3,6-8,13H,4-5,9-10,18H2,(H,19,20,22);1H
InChIKeyHOSXAZSZADBBGD-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.14
Rot. Bonds3

About 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride

5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride (PubChem CID 169003420) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
PubChem CID169003420
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride
SMILESCl.NCc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1
InChIInChI=1S/C17H18N4O.ClH/c18-9-11-2-1-3-12(8-11)14-6-7-19-16-15(14)10-21(13-4-5-13)17(22)20-16;/h1-3,6-8,13H,4-5,9-10,18H2,(H,19,20,22);1H
InChIKeyHOSXAZSZADBBGD-UHFFFAOYSA-N
XLogP3.14
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-5-[4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidine
CID 169003455
tert-butyl N-[[3-(3-cyclopropyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]sulfamoyl]carbamate
CID 169003419
3-(2-hydroxyethyl)-2-oxo-5-[3-[(sulfamoylamino)methyl]phenyl]-1,4-dihydropyrido[2,3-d]pyrimidine
CID 169003451
5-[3-(aminomethyl)phenyl]-1-benzyl-3-methyl-4H-pyrido[2,3-d]pyrimidin-2-one
CID 169003488
tert-butyl N-[[3-(3-methyl-2-oxo-1,4-dihydropyrido[2,3-d]pyrimidin-5-yl)phenyl]methyl]carbamate
CID 169003461
[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methylamino] thiohypoiodite
CID 167153013
[3-(5-cyclopropylpyrimidin-2-yl)phenyl]methanamine
CID 105483157
4-[4-(aminomethyl)-3-fluorophenyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
CID 157237216
tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563751
(3-pyridin-4-ylphenyl)methanamine;dihydrochloride
CID 23086760
2-oxo-5-[3-(sulfinoamino)phenyl]-3,4-dihydro-1H-1,8-naphthyridine
CID 169096584
[3-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985236

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride (CID 169003420) is 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride is Cl.NCc1cccc(-c2ccnc3c2CN(C2CC2)C(=O)N3)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride?
The InChIKey is HOSXAZSZADBBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O.ClH/c18-9-11-2-1-3-12(8-11)14-6-7-19-16-15(14)10-21(13-4-5-13)17(22)20-16;/h1-3,6-8,13H,4-5,9-10,18H2,(H,19,20,22);1H.
What are the key properties of 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride?
5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride has a molecular weight of 330.82 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,4-dihydropyrido[2,3-d]pyrimidin-2-one;hydrochloride is sourced from PubChem (CID 169003420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).