N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide

C18H18ClN5O — CID 90359909

IUPACN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
SMILESCN(C(=O)CCCc1ccccn1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H18ClN5O/c1-23(17(25)9-4-7-14-6-2-3-11-21-14)16-13-24(22-18(16)19)15-8-5-10-20-12-15/h2-3,5-6,8,10-13H,4,7,9H2,1H3
InChIKeyRKVBWTQCGFCNHN-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.30
Rot. Bonds6

About N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide

N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide (PubChem CID 90359909) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
PubChem CID90359909
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC NameN-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
SMILESCN(C(=O)CCCc1ccccn1)c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H18ClN5O/c1-23(17(25)9-4-7-14-6-2-3-11-21-14)16-13-24(22-18(16)19)15-8-5-10-20-12-15/h2-3,5-6,8,10-13H,4,7,9H2,1H3
InChIKeyRKVBWTQCGFCNHN-UHFFFAOYSA-N
XLogP3.30
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-3-methylsulfanylbutanamide
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N'-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-(cyclopropylmethyl)-N'-ethyl-N-methylbutanediamide
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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-N-(2-methyl-3-methylsulfanylpropanoyl)-3-methylsulfanylpropanamide
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N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-7,7,7-trifluoro-3-oxoheptanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The IUPAC name of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide (CID 90359909) is N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide.
What is the SMILES notation for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The canonical SMILES for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide is CN(C(=O)CCCc1ccccn1)c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide?
The InChIKey is RKVBWTQCGFCNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-23(17(25)9-4-7-14-6-2-3-11-21-14)16-13-24(22-18(16)19)15-8-5-10-20-12-15/h2-3,5-6,8,10-13H,4,7,9H2,1H3.
What are the key properties of N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide?
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide has a molecular weight of 355.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide is sourced from PubChem (CID 90359909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).