N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide

C20H23N5O — CID 166230930

IUPACN-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCc2cn[nH]c2-c2cccnc2)cc1
InChIInChI=1S/C20H23N5O/c1-3-14(2)24-20(26)15-6-8-18(9-7-15)22-12-17-13-23-25-19(17)16-5-4-10-21-11-16/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMNIZDZUFYQPJGT-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.61
Rot. Bonds7

About N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide

N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide (PubChem CID 166230930) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
PubChem CID166230930
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCc2cn[nH]c2-c2cccnc2)cc1
InChIInChI=1S/C20H23N5O/c1-3-14(2)24-20(26)15-6-8-18(9-7-15)22-12-17-13-23-25-19(17)16-5-4-10-21-11-16/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyMNIZDZUFYQPJGT-UHFFFAOYSA-N
XLogP3.61
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide with MolForge

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Related Compounds

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 43756378
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
6-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 81498728
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
3,4-difluoro-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]aniline
CID 43761640
N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
N-ethyl-N-methyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103107422
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
CID 43756904
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide?
The IUPAC name of N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide (CID 166230930) is N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide is CCC(C)NC(=O)c1ccc(NCc2cn[nH]c2-c2cccnc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide?
The InChIKey is MNIZDZUFYQPJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-14(2)24-20(26)15-6-8-18(9-7-15)22-12-17-13-23-25-19(17)16-5-4-10-21-11-16/h4-11,13-14,22H,3,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide?
N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide is sourced from PubChem (CID 166230930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).