N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide

C19H24N4O2 — CID 95312229

IUPACN-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)NCc2ncccc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-4-18(24)23-16-9-7-15(8-10-16)14(3)22-19(25)21-12-17-13(2)6-5-11-20-17/h5-11,14H,4,12H2,1-3H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyRUFHLUPHCAHLLO-CQSZACIVSA-N
MW340.43 g/mol
LogP3.30
Rot. Bonds6

About N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide

N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide (PubChem CID 95312229) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide
PubChem CID95312229
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc([C@@H](C)NC(=O)NCc2ncccc2C)cc1
InChIInChI=1S/C19H24N4O2/c1-4-18(24)23-16-9-7-15(8-10-16)14(3)22-19(25)21-12-17-13(2)6-5-11-20-17/h5-11,14H,4,12H2,1-3H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1
InChIKeyRUFHLUPHCAHLLO-CQSZACIVSA-N
XLogP3.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111104369
N-[4-[1-[[2-(2,6-dimethylphenoxy)acetyl]amino]ethyl]phenyl]propanamide
CID 55657686
1-[3-(1-aminoethyl)phenyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 63309337
2-methyl-3-[(3-methyl-2-pyridinyl)methylcarbamoylamino]propanoic acid
CID 55205966
3-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 55206150
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
2-amino-N-[(3-methyl-2-pyridinyl)methyl]propanamide
CID 63306534
1-(2-hydroxy-2,3-dimethylpentyl)-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 111121213
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
(1S)-1-(4-methylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]ethanamine
CID 103954544
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide?
The IUPAC name of N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide (CID 95312229) is N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide is CCC(=O)Nc1ccc([C@@H](C)NC(=O)NCc2ncccc2C)cc1.
What is the InChIKey of N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide?
The InChIKey is RUFHLUPHCAHLLO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-18(24)23-16-9-7-15(8-10-16)14(3)22-19(25)21-12-17-13(2)6-5-11-20-17/h5-11,14H,4,12H2,1-3H3,(H,23,24)(H2,21,22,25)/t14-/m1/s1.
What are the key properties of N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide?
N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide has a molecular weight of 340.43 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-[(3-methyl-2-pyridinyl)methylcarbamoylamino]ethyl]phenyl]propanamide is sourced from PubChem (CID 95312229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).