N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C18H14N6O — CID 133284759

IUPACN-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESN#Cc1nccnc1NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H14N6O/c19-11-16-17(22-10-9-21-16)23-12-13-1-3-15(4-2-13)24-18(25)14-5-7-20-8-6-14/h1-10H,12H2,(H,22,23)(H,24,25)
InChIKeyFLRMJOGKAORBAF-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133284759) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
PubChem CID133284759
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC NameN-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide
SMILESN#Cc1nccnc1NCc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C18H14N6O/c19-11-16-17(22-10-9-21-16)23-12-13-1-3-15(4-2-13)24-18(25)14-5-7-20-8-6-14/h1-10H,12H2,(H,22,23)(H,24,25)
InChIKeyFLRMJOGKAORBAF-UHFFFAOYSA-N
XLogP2.61
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-hydroxyphenyl)methylamino]pyrazine-2-carbonitrile
CID 115605243
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
4-cyano-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide
CID 46799159
3-[[4-(imidazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133283472
N-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 133300375
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750
N-[4-[[[2-[(4-cyanophenyl)methylsulfanyl]acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86875214
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 133469322
4-N-(4-cyanophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087689
5-(pyridin-4-ylmethylamino)-N-[4-(trifluoromethyl)phenyl]-2H-triazole-4-carboxamide
CID 44564727
N-[4-(1-cyanocyclopropyl)phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 11268688

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133284759) is N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide is N#Cc1nccnc1NCc1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
The InChIKey is FLRMJOGKAORBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-11-16-17(22-10-9-21-16)23-12-13-1-3-15(4-2-13)24-18(25)14-5-7-20-8-6-14/h1-10H,12H2,(H,22,23)(H,24,25).
What are the key properties of N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide?
N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-cyanopyrazin-2-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133284759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).