1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea

C15H19N5O — CID 113012952

IUPAC1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
SMILESCC(C)NC(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C15H19N5O/c1-11(2)19-15(21)20-13-3-4-14(18-10-13)17-9-12-5-7-16-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyPHYHNCXUFZFKEN-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.62
Rot. Bonds5

About 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea

1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea (PubChem CID 113012952) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
PubChem CID113012952
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
SMILESCC(C)NC(=O)Nc1ccc(NCc2ccncc2)nc1
InChIInChI=1S/C15H19N5O/c1-11(2)19-15(21)20-13-3-4-14(18-10-13)17-9-12-5-7-16-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyPHYHNCXUFZFKEN-UHFFFAOYSA-N
XLogP2.62
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
1-propan-2-yl-3-[6-(propylamino)-3-pyridinyl]urea
CID 113009101
1-[5-[(4-chlorophenyl)methylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113027295
4-chloro-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzamide
CID 113012926
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113012936
N-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]butanamide
CID 113027859
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
4-propan-2-yl-N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]benzenesulfonamide
CID 113012969
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661
1-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 154749625

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The IUPAC name of 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea (CID 113012952) is 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea is CC(C)NC(=O)Nc1ccc(NCc2ccncc2)nc1.
What is the InChIKey of 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
The InChIKey is PHYHNCXUFZFKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(2)19-15(21)20-13-3-4-14(18-10-13)17-9-12-5-7-16-8-6-12/h3-8,10-11H,9H2,1-2H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea?
1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea has a molecular weight of 285.35 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea is sourced from PubChem (CID 113012952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).