N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

C18H20N6O — CID 86854951

IUPACN-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccnc2)n1
InChIInChI=1S/C18H20N6O/c1-13-4-2-6-16(22-13)23-17(25)7-9-20-11-15-12-21-24-18(15)14-5-3-8-19-10-14/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWZCAMESLORHTCU-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.29
Rot. Bonds7

About N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide

N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 86854951) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID86854951
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccnc2)n1
InChIInChI=1S/C18H20N6O/c1-13-4-2-6-16(22-13)23-17(25)7-9-20-11-15-12-21-24-18(15)14-5-3-8-19-10-14/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyWZCAMESLORHTCU-UHFFFAOYSA-N
XLogP2.29
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854953
N-(6-methyl-2-pyridinyl)-3-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 86854952
N-cyclopropyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 78978275
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-(2,4,6-trimethylphenyl)ethanamine
CID 71889196
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 61043851
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
3-[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol
CID 103649065
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
2-(2-methylpropoxy)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 115589679
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide (CID 86854951) is N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1cccc(NC(=O)CCNCc2cn[nH]c2-c2cccnc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is WZCAMESLORHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-4-2-6-16(22-13)23-17(25)7-9-20-11-15-12-21-24-18(15)14-5-3-8-19-10-14/h2-6,8,10,12,20H,7,9,11H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide?
N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 336.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 86854951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).