1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea

C19H21N5O — CID 166209852

IUPAC1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea
SMILESCc1cc(NC(=O)NC(c2ccccc2)c2cnn(C)c2)cc(C)n1
InChIInChI=1S/C19H21N5O/c1-13-9-17(10-14(2)21-13)22-19(25)23-18(15-7-5-4-6-8-15)16-11-20-24(3)12-16/h4-12,18H,1-3H3,(H2,21,22,23,25)
InChIKeyXIFPSTDPQJQIMO-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.34
Rot. Bonds4

About 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea

1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea (PubChem CID 166209852) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea
PubChem CID166209852
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea
SMILESCc1cc(NC(=O)NC(c2ccccc2)c2cnn(C)c2)cc(C)n1
InChIInChI=1S/C19H21N5O/c1-13-9-17(10-14(2)21-13)22-19(25)23-18(15-7-5-4-6-8-15)16-11-20-24(3)12-16/h4-12,18H,1-3H3,(H2,21,22,23,25)
InChIKeyXIFPSTDPQJQIMO-UHFFFAOYSA-N
XLogP3.34
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-3-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]urea
CID 138027918
N-methyl-5-[[(1-methylpyrazol-4-yl)-phenylmethyl]carbamoylamino]-2H-triazole-4-carboxamide
CID 166320104
1-benzhydryl-3-(3,4,5-trihydroxyphenyl)urea
CID 108871724
1-(3-acetylphenyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 45147173
4-methyl-N-[(1-methylpyrazol-4-yl)-phenylmethyl]-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 167967283
1-benzhydryl-3-(4-methoxyphenyl)urea
CID 11602403
1-benzhydryl-3-pyridin-3-ylurea
CID 108864958
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
1-(2-chloro-4,6-dimethyl-3-pyridinyl)-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 96524434
N-[(4-methoxyphenyl)-phenylmethyl]-1-methylpyrazole-4-carboxamide
CID 18166420
1-benzhydryl-3-(4-phenylphenyl)urea
CID 108867015
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea (CID 166209852) is 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea is Cc1cc(NC(=O)NC(c2ccccc2)c2cnn(C)c2)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea?
The InChIKey is XIFPSTDPQJQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-9-17(10-14(2)21-13)22-19(25)23-18(15-7-5-4-6-8-15)16-11-20-24(3)12-16/h4-12,18H,1-3H3,(H2,21,22,23,25).
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea?
1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea has a molecular weight of 335.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-3-[(1-methylpyrazol-4-yl)-phenylmethyl]urea is sourced from PubChem (CID 166209852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).