N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide

C18H16ClN5O — CID 25218446

IUPACN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C18H16ClN5O/c1-12(22-17-11-21-10-16(19)24-17)13-4-2-6-15(8-13)23-18(25)14-5-3-7-20-9-14/h2-12H,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyJSUUMDFUENSQSK-LBPRGKRZSA-N
MW353.81 g/mol
LogP3.95
Rot. Bonds5

About N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide

N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide (PubChem CID 25218446) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
PubChem CID25218446
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC NameN-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide
SMILESC[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C18H16ClN5O/c1-12(22-17-11-21-10-16(19)24-17)13-4-2-6-15(8-13)23-18(25)14-5-3-7-20-9-14/h2-12H,1H3,(H,22,24)(H,23,25)/t12-/m0/s1
InChIKeyJSUUMDFUENSQSK-LBPRGKRZSA-N
XLogP3.95
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide (CID 25218446) is N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide is C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
The InChIKey is JSUUMDFUENSQSK-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-12(22-17-11-21-10-16(19)24-17)13-4-2-6-15(8-13)23-18(25)14-5-3-7-20-9-14/h2-12H,1H3,(H,22,24)(H,23,25)/t12-/m0/s1.
What are the key properties of N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide?
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 25218446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).