N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide

C19H24N4O2 — CID 125177536

IUPACN-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-4-21-18(24)16-7-8-17(13(2)10-16)23-19(25)22-14(3)11-15-6-5-9-20-12-15/h5-10,12,14H,4,11H2,1-3H3,(H,21,24)(H2,22,23,25)/t14-/m0/s1
InChIKeyQHZPZNOOQPLIPL-AWEZNQCLSA-N
MW340.43 g/mol
LogP2.89
Rot. Bonds6

About N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide

N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide (PubChem CID 125177536) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
PubChem CID125177536
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide
SMILESCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-4-21-18(24)16-7-8-17(13(2)10-16)23-19(25)22-14(3)11-15-6-5-9-20-12-15/h5-10,12,14H,4,11H2,1-3H3,(H,21,24)(H2,22,23,25)/t14-/m0/s1
InChIKeyQHZPZNOOQPLIPL-AWEZNQCLSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-4-(1-pyridin-4-ylpropylcarbamoylamino)benzamide
CID 71870372
4-[[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)carbamoyl]amino]-N-ethyl-3-methylbenzamide
CID 87010560
N-ethyl-3-methyl-4-(2-methylpropylcarbamoylamino)benzamide
CID 47264617
3-methyl-4-(methylamino)-N-(2-pyridin-3-ylethyl)benzamide
CID 63210322
N,N-dimethyl-2-(1-pyridin-3-ylpropan-2-ylcarbamoylamino)pyridine-4-carboxamide
CID 154783650
N-ethyl-3-methyl-4-[[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]carbamoylamino]benzamide
CID 94166195
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
N,N-dimethyl-3-[2-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]phenyl]propanamide
CID 125157678
4-(3-aminopropanoylamino)-N-ethyl-3-methylbenzamide
CID 54862801
ethyl 3-methyl-4-(pyridin-3-ylmethylcarbamothioylamino)benzoate
CID 100595852
2-methoxy-4-methyl-5-(1-pyridin-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 167897060
4-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-ethyl-3-methylbenzamide
CID 61179048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide?
The IUPAC name of N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide (CID 125177536) is N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide.
What is the SMILES notation for N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide?
The canonical SMILES for N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide is CCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2cccnc2)c(C)c1.
What is the InChIKey of N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide?
The InChIKey is QHZPZNOOQPLIPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-4-21-18(24)16-7-8-17(13(2)10-16)23-19(25)22-14(3)11-15-6-5-9-20-12-15/h5-10,12,14H,4,11H2,1-3H3,(H,21,24)(H2,22,23,25)/t14-/m0/s1.
What are the key properties of N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide?
N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-[[(2S)-1-pyridin-3-ylpropan-2-yl]carbamoylamino]benzamide is sourced from PubChem (CID 125177536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).