N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide

C20H28N4O — CID 109167828

IUPACN-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)20(25)18-10-11-21-19(14-18)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,21,22)
InChIKeyBXZZWKSVQWNFCA-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.11
Rot. Bonds8

About N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide

N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 109167828) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID109167828
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCN(C)C)c1
InChIInChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)20(25)18-10-11-21-19(14-18)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,21,22)
InChIKeyBXZZWKSVQWNFCA-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(benzylamino)-N-propan-2-ylpyridine-4-carboxamide
CID 109169536
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
N-benzyl-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 109165092
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
4-N-benzyl-2-N-(2-methoxyethyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109082370
2-[benzyl(propan-2-yl)amino]-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167699
N-benzyl-2-[3-(dimethylamino)propylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109301738
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
2-[2-(dimethylamino)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109167796
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
2-[2-(dimethylamino)ethylamino]-N-[(2-methylphenyl)methyl]pyridine-4-carboxamide
CID 109167781

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide (CID 109167828) is N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1ccnc(NCCN(C)C)c1.
What is the InChIKey of N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is BXZZWKSVQWNFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16(2)24(15-17-8-6-5-7-9-17)20(25)18-10-11-21-19(14-18)22-12-13-23(3)4/h5-11,14,16H,12-13,15H2,1-4H3,(H,21,22).
What are the key properties of N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide?
N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(dimethylamino)ethylamino]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 109167828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).