2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide

C26H34ClN5O2 — CID 123535035

IUPAC2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide
SMILESCc1cc(CN2CCC(N3CCCC3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl
InChIInChI=1S/C26H34ClN5O2/c1-18-15-19(6-7-22(18)27)17-31-13-9-21(10-14-31)32-12-4-5-23(32)25(33)29-24-16-20(8-11-28-24)26(34)30(2)3/h6-8,11,15-16,21,23H,4-5,9-10,12-14,17H2,1-3H3,(H,28,29,33)
InChIKeySNPCGGCIIUSGNZ-UHFFFAOYSA-N
MW484.04 g/mol
LogP3.81
Rot. Bonds6

About 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide

2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 123535035) has the molecular formula C26H34ClN5O2 and a molecular weight of 484.04 g/mol. Its IUPAC name is 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide
PubChem CID123535035
Molecular FormulaC26H34ClN5O2
Molecular Weight484.04 g/mol
Exact Mass483.24
IUPAC Name2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide
SMILESCc1cc(CN2CCC(N3CCCC3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl
InChIInChI=1S/C26H34ClN5O2/c1-18-15-19(6-7-22(18)27)17-31-13-9-21(10-14-31)32-12-4-5-23(32)25(33)29-24-16-20(8-11-28-24)26(34)30(2)3/h6-8,11,15-16,21,23H,4-5,9-10,12-14,17H2,1-3H3,(H,28,29,33)
InChIKeySNPCGGCIIUSGNZ-UHFFFAOYSA-N
XLogP3.81
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.04
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide (CID 123535035) is 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide is Cc1cc(CN2CCC(N3CCCC3C(=O)Nc3cc(C(=O)N(C)C)ccn3)CC2)ccc1Cl.
What is the InChIKey of 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is SNPCGGCIIUSGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN5O2/c1-18-15-19(6-7-22(18)27)17-31-13-9-21(10-14-31)32-12-4-5-23(32)25(33)29-24-16-20(8-11-28-24)26(34)30(2)3/h6-8,11,15-16,21,23H,4-5,9-10,12-14,17H2,1-3H3,(H,28,29,33).
What are the key properties of 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide?
2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 484.04 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]pyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 123535035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).