1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea

C19H16N6O — CID 75510020

IUPAC1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C19H16N6O/c20-10-17-12-23-18(13-21-17)22-11-14-5-4-8-16(9-14)25-19(26)24-15-6-2-1-3-7-15/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26)
InChIKeyABIYFORQRRXRSC-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea

1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea (PubChem CID 75510020) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
PubChem CID75510020
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
SMILESN#Cc1cnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1
InChIInChI=1S/C19H16N6O/c20-10-17-12-23-18(13-21-17)22-11-14-5-4-8-16(9-14)25-19(26)24-15-6-2-1-3-7-15/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26)
InChIKeyABIYFORQRRXRSC-UHFFFAOYSA-N
XLogP3.60
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea
CID 154726258
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133291347
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
2-[[3-(phenylcarbamoylamino)phenyl]methylamino]benzamide
CID 171062567
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976
(2S)-2-amino-4-[[6-[(5-cyanopyrazin-2-yl)amino]pyrimidin-4-yl]amino]-N-phenylbutanamide
CID 59613451
N-[3-[[(2-cyanoquinolin-4-yl)amino]methyl]phenyl]furan-2-carboxamide
CID 133310527
1-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea (CID 75510020) is 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea is N#Cc1cnc(NCc2cccc(NC(=O)Nc3ccccc3)c2)cn1.
What is the InChIKey of 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea?
The InChIKey is ABIYFORQRRXRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-10-17-12-23-18(13-21-17)22-11-14-5-4-8-16(9-14)25-19(26)24-15-6-2-1-3-7-15/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26).
What are the key properties of 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea?
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea has a molecular weight of 344.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea is sourced from PubChem (CID 75510020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).