N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

C25H25ClN6O2 — CID 67776306

IUPACN-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1
InChIInChI=1S/C25H25ClN6O2/c1-15-12-27-23(30-16(2)33)11-18(15)22-10-20(25-28-14-29-31-25)24(34-22)19-9-17(5-6-21(19)26)13-32-7-3-4-8-32/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,27,30,33)(H,28,29,31)
InChIKeyHDQBIMGQPHFKMV-UHFFFAOYSA-N
MW476.97 g/mol
LogP5.31
Rot. Bonds6

About N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide

N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 67776306) has the molecular formula C25H25ClN6O2 and a molecular weight of 476.97 g/mol. Its IUPAC name is N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
PubChem CID67776306
Molecular FormulaC25H25ClN6O2
Molecular Weight476.97 g/mol
Exact Mass476.17
IUPAC NameN-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1
InChIInChI=1S/C25H25ClN6O2/c1-15-12-27-23(30-16(2)33)11-18(15)22-10-20(25-28-14-29-31-25)24(34-22)19-9-17(5-6-21(19)26)13-32-7-3-4-8-32/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,27,30,33)(H,28,29,31)
InChIKeyHDQBIMGQPHFKMV-UHFFFAOYSA-N
XLogP5.31
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.97
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[5-bromo-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 66749535
1-(2-acetamido-5-methyl-4-pyridinyl)-4-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 71620822
N-[4-[3-[2-chloro-5-[(dimethylamino)methyl]phenyl]-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]acetamide
CID 71622191
N-[4-[3-(2-chlorophenyl)-4-(1H-1,2,4-triazol-5-yl)pyrrol-1-yl]-2-pyridinyl]acetamide
CID 86688667
4-(piperidin-1-ylmethyl)-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 30865174
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 67776016
2-(2-acetamido-5-methyl-4-pyridinyl)-5-(2-chlorophenyl)-N-[(2R)-2-hydroxypropyl]-1,3-oxazole-4-carboxamide
CID 67952381
methyl N-[4-[3-(2-chloro-4-ethoxyphenyl)-4-(1H-1,2,4-triazol-5-yl)pyrazol-1-yl]-5-methyl-2-pyridinyl]carbamate
CID 71622878
N-[5-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 87034454
N-[4-[5-(2-chlorophenyl)-4-[[oxido(propan-2-yl)amino]methyl]-1,3-oxazol-2-yl]-5-methyl-2-pyridinyl]acetamide
CID 163798895
4-(2-chlorophenyl)-N-[6-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide;hydrochloride
CID 18435917

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide (CID 67776306) is N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cc(-c3ncn[nH]3)c(-c3cc(CN4CCCC4)ccc3Cl)o2)c(C)cn1.
What is the InChIKey of N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
The InChIKey is HDQBIMGQPHFKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O2/c1-15-12-27-23(30-16(2)33)11-18(15)22-10-20(25-28-14-29-31-25)24(34-22)19-9-17(5-6-21(19)26)13-32-7-3-4-8-32/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,27,30,33)(H,28,29,31).
What are the key properties of N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide?
N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 476.97 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[2-chloro-5-(pyrrolidin-1-ylmethyl)phenyl]-4-(1H-1,2,4-triazol-5-yl)furan-2-yl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 67776306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).