N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide

C17H16ClN5O2 — CID 59570586

IUPACN-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C17H16ClN5O2/c1-17(8-14(24)22-16(19)23-17)10-3-2-4-12(7-10)21-15(25)13-6-5-11(18)9-20-13/h2-7,9H,8H2,1H3,(H,21,25)(H3,19,22,23,24)/t17-/m0/s1
InChIKeyUMPLCRBMMNMIAC-KRWDZBQOSA-N
MW357.80 g/mol
LogP2.04
Rot. Bonds3

About N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide

N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide (PubChem CID 59570586) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
PubChem CID59570586
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
SMILESC[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC(=O)NC(N)=N1
InChIInChI=1S/C17H16ClN5O2/c1-17(8-14(24)22-16(19)23-17)10-3-2-4-12(7-10)21-15(25)13-6-5-11(18)9-20-13/h2-7,9H,8H2,1H3,(H,21,25)(H3,19,22,23,24)/t17-/m0/s1
InChIKeyUMPLCRBMMNMIAC-KRWDZBQOSA-N
XLogP2.04
TPSA109.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 50991585
N-[3-[(4S)-6-amino-4-methyl-7H-pyrazolo[1,5-a]pyrazin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 56948644
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 91116624
N-[3-(6-amino-2-methylmorpholin-2-yl)phenyl]-5-chloropyridine-2-carboxamide
CID 67984187
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-methylpyridine-2-carboxamide
CID 50914251
N-[3-[(4aR,7aR)-2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]thiazin-7a-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 66860495
N-[3-(5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl)phenyl]-5-bromopyridine-2-carboxamide;hydrochloride
CID 66665851
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
CID 157354109
5-chloro-N-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]pyridine-2-carboxamide
CID 77037502
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
CID 59250509
N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 59250351

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide (CID 59570586) is N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide is C[C@@]1(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)CC(=O)NC(N)=N1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
The InChIKey is UMPLCRBMMNMIAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-17(8-14(24)22-16(19)23-17)10-3-2-4-12(7-10)21-15(25)13-6-5-11(18)9-20-13/h2-7,9H,8H2,1H3,(H,21,25)(H3,19,22,23,24)/t17-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide has a molecular weight of 357.80 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-6-oxo-1,5-dihydropyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 59570586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).