3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide

C19H18ClN5O — CID 52763720

IUPAC3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
SMILESC[C@H](Nc1ccc(NC(=O)c2nccnc2N)cc1Cl)c1ccccc1
InChIInChI=1S/C19H18ClN5O/c1-12(13-5-3-2-4-6-13)24-16-8-7-14(11-15(16)20)25-19(26)17-18(21)23-10-9-22-17/h2-12,24H,1H3,(H2,21,23)(H,25,26)/t12-/m0/s1
InChIKeyJAVQQSAZGPXCJT-LBPRGKRZSA-N
MW367.84 g/mol
LogP4.14
Rot. Bonds5

About 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide

3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide (PubChem CID 52763720) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
PubChem CID52763720
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide
SMILESC[C@H](Nc1ccc(NC(=O)c2nccnc2N)cc1Cl)c1ccccc1
InChIInChI=1S/C19H18ClN5O/c1-12(13-5-3-2-4-6-13)24-16-8-7-14(11-15(16)20)25-19(26)17-18(21)23-10-9-22-17/h2-12,24H,1H3,(H2,21,23)(H,25,26)/t12-/m0/s1
InChIKeyJAVQQSAZGPXCJT-LBPRGKRZSA-N
XLogP4.14
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-[3-chloro-4-[[(1R)-1-phenylethyl]amino]phenyl]-3-pyridin-4-ylurea
CID 52501243
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopropane-1-carboxamide
CID 119743322
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-methyl-3-(methylamino)propanamide
CID 119743334
1-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119300292
3-chloro-4-(1-phenylethylamino)benzoic acid
CID 63088121
(2S)-2-amino-N-[3-chloro-4-(1-phenylethylamino)phenyl]-4-methylsulfanylbutanamide
CID 119300289
3-amino-N-[4-chloro-3-(difluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 75475805
N-(3-chloro-4-methylphenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170167
3-amino-N-[2,4-di(propan-2-yl)phenyl]pyrazine-2-carboxamide
CID 119132580
2,4-dichloro-N-(1-phenylethyl)aniline
CID 43082155
N-(3-chloro-4-fluorophenyl)-2-(1-phenylethylamino)pyridine-4-carboxamide
CID 109170168
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
CID 167773043

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide (CID 52763720) is 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide is C[C@H](Nc1ccc(NC(=O)c2nccnc2N)cc1Cl)c1ccccc1.
What is the InChIKey of 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide?
The InChIKey is JAVQQSAZGPXCJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12(13-5-3-2-4-6-13)24-16-8-7-14(11-15(16)20)25-19(26)17-18(21)23-10-9-22-17/h2-12,24H,1H3,(H2,21,23)(H,25,26)/t12-/m0/s1.
What are the key properties of 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide?
3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-4-[[(1S)-1-phenylethyl]amino]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52763720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).