N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide

C21H28N4O2 — CID 109161578

IUPACN-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H28N4O2/c1-3-4-11-24(2)21(26)17-9-10-20(22-16-17)23-18-7-5-6-8-19(18)25-12-14-27-15-13-25/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,23)
InChIKeyHPKZDYPQSVHSIE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.53
Rot. Bonds7

About N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide

N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 109161578) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID109161578
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1
InChIInChI=1S/C21H28N4O2/c1-3-4-11-24(2)21(26)17-9-10-20(22-16-17)23-18-7-5-6-8-19(18)25-12-14-27-15-13-25/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,23)
InChIKeyHPKZDYPQSVHSIE-UHFFFAOYSA-N
XLogP3.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-methyl-5-(2-morpholin-4-ylanilino)pyrazine-2-carboxamide
CID 109288305
N-butan-2-yl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 109152097
morpholin-4-yl-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]methanone
CID 109153485
methyl 2-[[5-[butyl(methyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109161569
2-(2-morpholin-4-ylanilino)-N,N-dipropylpyrimidine-5-carboxamide
CID 109264608
N-butyl-6-(2,3-dichloroanilino)-N-methylpyridine-3-carboxamide
CID 109161592
N'-butyl-N'-methyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527465
N-butyl-N-methyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109032404
N-[3-(dimethylamino)propyl]-2-(2-morpholin-4-ylanilino)pyrimidine-5-carboxamide
CID 109253442
N-[5-(2-morpholin-4-ylanilino)-2-pyridinyl]butanamide
CID 113035731
6-(2-morpholin-4-ylanilino)-N-propylpyridazine-3-carboxamide
CID 109109357
N-butyl-5-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109180774

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 109161578) is N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2ccccc2N2CCOCC2)nc1.
What is the InChIKey of N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is HPKZDYPQSVHSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-4-11-24(2)21(26)17-9-10-20(22-16-17)23-18-7-5-6-8-19(18)25-12-14-27-15-13-25/h5-10,16H,3-4,11-15H2,1-2H3,(H,22,23).
What are the key properties of N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide?
N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-6-(2-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109161578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).