N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide

C24H26N4O2 — CID 51585948

IUPACN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C
InChIInChI=1S/C24H26N4O2/c1-17-3-4-20(15-18(17)2)23(19-5-8-25-9-6-19)27-24(29)21-7-10-26-22(16-21)28-11-13-30-14-12-28/h3-10,15-16,23H,11-14H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyNFFRAOJDSUFVIU-HSZRJFAPSA-N
MW402.50 g/mol
LogP3.45
Rot. Bonds5

About N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 51585948) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID51585948
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1ccc([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C
InChIInChI=1S/C24H26N4O2/c1-17-3-4-20(15-18(17)2)23(19-5-8-25-9-6-19)27-24(29)21-7-10-26-22(16-21)28-11-13-30-14-12-28/h3-10,15-16,23H,11-14H2,1-2H3,(H,27,29)/t23-/m1/s1
InChIKeyNFFRAOJDSUFVIU-HSZRJFAPSA-N
XLogP3.45
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 51585948) is N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1ccc([C@H](NC(=O)c2ccnc(N3CCOCC3)c2)c2ccncc2)cc1C.
What is the InChIKey of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is NFFRAOJDSUFVIU-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-3-4-20(15-18(17)2)23(19-5-8-25-9-6-19)27-24(29)21-7-10-26-22(16-21)28-11-13-30-14-12-28/h3-10,15-16,23H,11-14H2,1-2H3,(H,27,29)/t23-/m1/s1.
What are the key properties of N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 51585948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).