1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea

C19H22N6O — CID 154849275

IUPAC1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)cc1C(C)NC(=O)Nc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-13(16-12-25(3)24-14(16)2)20-19(26)23-18-11-7-10-17(22-18)21-15-8-5-4-6-9-15/h4-13H,1-3H3,(H3,20,21,22,23,26)
InChIKeyRJJSUBSWOLLFOV-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.75
Rot. Bonds5

About 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea

1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 154849275) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID154849275
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)cc1C(C)NC(=O)Nc1cccc(Nc2ccccc2)n1
InChIInChI=1S/C19H22N6O/c1-13(16-12-25(3)24-14(16)2)20-19(26)23-18-11-7-10-17(22-18)21-15-8-5-4-6-9-15/h4-13H,1-3H3,(H3,20,21,22,23,26)
InChIKeyRJJSUBSWOLLFOV-UHFFFAOYSA-N
XLogP3.75
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17284087
3-[[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]-4-methoxybenzamide
CID 95311143
2-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 119944858
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(2-prop-2-enoxyphenyl)methyl]urea
CID 56787676
3-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]benzamide
CID 19466971
3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]phenol
CID 65191851
methyl 3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]benzoate
CID 65191652
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
1-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 95762594
(2R)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737701
(2S)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methyl-2-pyridin-4-ylbutanamide
CID 124737702
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(4-methylbenzoyl)benzamide
CID 19466973

Frequently Asked Questions

What is the IUPAC name of 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea (CID 154849275) is 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)cc1C(C)NC(=O)Nc1cccc(Nc2ccccc2)n1.
What is the InChIKey of 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is RJJSUBSWOLLFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(16-12-25(3)24-14(16)2)20-19(26)23-18-11-7-10-17(22-18)21-15-8-5-4-6-9-15/h4-13H,1-3H3,(H3,20,21,22,23,26).
What are the key properties of 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea?
1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 350.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-anilino-2-pyridinyl)-3-[1-(1,3-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 154849275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).