N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

C21H21ClN4O — CID 42794188

IUPACN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1cc(Cl)c(CN(Cc2cccnc2)C(=O)C2Cc3ccccc3C2)n1
InChIInChI=1S/C21H21ClN4O/c1-25-13-19(22)20(24-25)14-26(12-15-5-4-8-23-11-15)21(27)18-9-16-6-2-3-7-17(16)10-18/h2-8,11,13,18H,9-10,12,14H2,1H3
InChIKeyYMNGLPGZZBCWOL-UHFFFAOYSA-N
MW380.88 g/mol
LogP3.41
Rot. Bonds5

About N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide

N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 42794188) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID42794188
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCn1cc(Cl)c(CN(Cc2cccnc2)C(=O)C2Cc3ccccc3C2)n1
InChIInChI=1S/C21H21ClN4O/c1-25-13-19(22)20(24-25)14-26(12-15-5-4-8-23-11-15)21(27)18-9-16-6-2-3-7-17(16)10-18/h2-8,11,13,18H,9-10,12,14H2,1H3
InChIKeyYMNGLPGZZBCWOL-UHFFFAOYSA-N
XLogP3.41
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-2-yl)-N,N-bis(pyridin-3-ylmethyl)aziridine-2-carboxamide
CID 74226399
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 168853651
1-benzyl-5-oxo-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 78792740
N-[(2,4-dichlorophenyl)methyl]-N-(pyridin-3-ylmethyl)oxane-4-carboxamide
CID 168853730
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 43813641
N-[(2-chloro-6,7-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclopropanecarboxamide
CID 3216942
1-[(2-chlorophenyl)methyl]-3-methyl-1-(pyridin-3-ylmethyl)urea
CID 692924
cis-(1R,3S)-3-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 166254821
N-[(2-chloro-6,8-dimethylquinolin-3-yl)methyl]-N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 1459926
(3R)-N-[(2-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 95046458
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 33324992
5-propyl-N,N-bis(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 75257558

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 42794188) is N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide is Cn1cc(Cl)c(CN(Cc2cccnc2)C(=O)C2Cc3ccccc3C2)n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is YMNGLPGZZBCWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-25-13-19(22)20(24-25)14-26(12-15-5-4-8-23-11-15)21(27)18-9-16-6-2-3-7-17(16)10-18/h2-8,11,13,18H,9-10,12,14H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-3-yl)methyl]-N-(pyridin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 42794188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).