1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

C20H24N6O — CID 86995949

IUPAC1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCC(CNC(=O)NCc1ccnc(-n2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C20H24N6O/c1-16(25(2)18-7-4-3-5-8-18)14-22-20(27)23-15-17-9-11-21-19(13-17)26-12-6-10-24-26/h3-13,16H,14-15H2,1-2H3,(H2,22,23,27)
InChIKeyISGMSNVYIUAWAZ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.59
Rot. Bonds7

About 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea

1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (PubChem CID 86995949) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
PubChem CID86995949
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
SMILESCC(CNC(=O)NCc1ccnc(-n2cccn2)c1)N(C)c1ccccc1
InChIInChI=1S/C20H24N6O/c1-16(25(2)18-7-4-3-5-8-18)14-22-20(27)23-15-17-9-11-21-19(13-17)26-12-6-10-24-26/h3-13,16H,14-15H2,1-2H3,(H2,22,23,27)
InChIKeyISGMSNVYIUAWAZ-UHFFFAOYSA-N
XLogP2.59
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
1-[(1R)-1-phenylethyl]-3-(3-propyl-2H-pyrazolo[4,3-c]pyridin-6-yl)urea
CID 71555392
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-pyridin-3-yl-2-pyridinyl)propanamide
CID 86303027
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[4-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475626
N-[3-[[[5-chloro-2-[[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475656
1-(8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)imidazolidin-2-one
CID 118660806
US10407446, Example 13
CID 135151301
9-(4,4-Difluorocyclohexyl)-7-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]purin-8-one
CID 155521367
1-[3-(dimethylamino)phenyl]-3-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazolo[4,3-c]pyridin-6-amine
CID 25093255
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(pyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138073

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea (CID 86995949) is 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is CC(CNC(=O)NCc1ccnc(-n2cccn2)c1)N(C)c1ccccc1.
What is the InChIKey of 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is ISGMSNVYIUAWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-16(25(2)18-7-4-3-5-8-18)14-22-20(27)23-15-17-9-11-21-19(13-17)26-12-6-10-24-26/h3-13,16H,14-15H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea?
1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 364.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)propyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 86995949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).