N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide

C19H22ClN3O2 — CID 109167563

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24)
InChIKeyYFRQVUKMXLTLJF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.30
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109167563) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109167563
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccnc(NCC2CCCO2)c1
InChIInChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24)
InChIKeyYFRQVUKMXLTLJF-UHFFFAOYSA-N
XLogP3.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
N-[2-(4-methoxyphenoxy)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167576
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyridine-4-carboxamide
CID 109165043
4-N-[2-(4-chlorophenyl)ethyl]-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081545
6-N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870038
2-(2,6-dichloroanilino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 109167534
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167633
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
2-(oxolan-2-ylmethylamino)-N-(1-phenylethyl)pyridine-4-carboxamide
CID 109167544

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide (CID 109167563) is N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccnc(NCC2CCCO2)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is YFRQVUKMXLTLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c20-16-5-3-14(4-6-16)7-9-22-19(24)15-8-10-21-18(12-15)23-13-17-2-1-11-25-17/h3-6,8,10,12,17H,1-2,7,9,11,13H2,(H,21,23)(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109167563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).