N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide

C16H22N4O — CID 50973005

IUPACN,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1cccn1-c1ccccn1
InChIInChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-14-8-7-11-20(14)15-9-5-6-10-17-15/h5-11,13H,12H2,1-4H3
InChIKeyHRKJDNMIXBDWBC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.78
Rot. Bonds5

About N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide

N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide (PubChem CID 50973005) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide
PubChem CID50973005
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide
SMILESCC(C(=O)N(C)C)N(C)Cc1cccn1-c1ccccn1
InChIInChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-14-8-7-11-20(14)15-9-5-6-10-17-15/h5-11,13H,12H2,1-4H3
InChIKeyHRKJDNMIXBDWBC-UHFFFAOYSA-N
XLogP1.78
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N,N-dimethyl-2-[methyl-[(2-phenylpyrazol-3-yl)methyl]amino]propanamide
CID 95208811
(2R)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225152
(2S)-N,N-dimethyl-2-[methyl-[(2-pyridin-2-ylpyrimidin-5-yl)methyl]amino]propanamide
CID 95225151
2-hydroxypropane-1,2,3-tricarboxylic acid;1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]methanamine
CID 171670187
diethyl 2-(1-pyridin-2-ylpyrrol-2-yl)propanedioate
CID 71724406
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 56718302
[(2R)-1-(dimethylamino)-1-oxopropan-2-yl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate
CID 94828693
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
N-(furan-2-ylmethyl)-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]butan-1-amine
CID 46989025
2-[(4-aminophenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 43458331
(2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 8803349

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide (CID 50973005) is N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide is CC(C(=O)N(C)C)N(C)Cc1cccn1-c1ccccn1.
What is the InChIKey of N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide?
The InChIKey is HRKJDNMIXBDWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(16(21)18(2)3)19(4)12-14-8-7-11-20(14)15-9-5-6-10-17-15/h5-11,13H,12H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide?
N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl-[(1-pyridin-2-ylpyrrol-2-yl)methyl]amino]propanamide is sourced from PubChem (CID 50973005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).