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

C19H21N5O — CID 86854953

IUPACN-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-14-6-5-9-17(22-14)23-18(25)10-11-20-12-16-13-21-24-19(16)15-7-3-2-4-8-15/h2-9,13,20H,10-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOOOAYFZWXKYIPN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.90
Rot. Bonds7

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

N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 86854953) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID86854953
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCc1cccc(NC(=O)CCNCc2cn[nH]c2-c2ccccc2)n1
InChIInChI=1S/C19H21N5O/c1-14-6-5-9-17(22-14)23-18(25)10-11-20-12-16-13-21-24-19(16)15-7-3-2-4-8-15/h2-9,13,20H,10-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyOOOAYFZWXKYIPN-UHFFFAOYSA-N
XLogP2.90
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 86854953) is N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide is Cc1cccc(NC(=O)CCNCc2cn[nH]c2-c2ccccc2)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is OOOAYFZWXKYIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-6-5-9-17(22-14)23-18(25)10-11-20-12-16-13-21-24-19(16)15-7-3-2-4-8-15/h2-9,13,20H,10-12H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide?
N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 86854953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).