(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide

C18H20N4O2 — CID 94798428

IUPAC(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
SMILESO=C(Nc1ccncc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C18H20N4O2/c23-17(20-14-6-7-14)16(12-13-4-2-1-3-5-13)22-18(24)21-15-8-10-19-11-9-15/h1-5,8-11,14,16H,6-7,12H2,(H,20,23)(H2,19,21,22,24)/t16-/m1/s1
InChIKeySRFIYBKMTRRNIG-MRXNPFEDSA-N
MW324.38 g/mol
LogP2.09
Rot. Bonds6

About (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide

(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide (PubChem CID 94798428) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
PubChem CID94798428
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide
SMILESO=C(Nc1ccncc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1
InChIInChI=1S/C18H20N4O2/c23-17(20-14-6-7-14)16(12-13-4-2-1-3-5-13)22-18(24)21-15-8-10-19-11-9-15/h1-5,8-11,14,16H,6-7,12H2,(H,20,23)(H2,19,21,22,24)/t16-/m1/s1
InChIKeySRFIYBKMTRRNIG-MRXNPFEDSA-N
XLogP2.09
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
(2S)-2-[(4-methylphenyl)carbamoylamino]-3-phenyl-N-pyridin-4-ylpropanamide
CID 10248837
(2R)-N-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]-3-phenylpropanamide
CID 95342005
(2S)-N-cyclopropyl-2-(naphthalen-1-ylcarbamoylamino)-3-phenylpropanamide
CID 52506751
(2R)-4-phenyl-2-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 146096385
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
CID 47093309
3-phenyl-2-(3-phenylpropylcarbamoylamino)-N-pyridin-4-ylpropanamide
CID 85095637
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
(2S)-2-(dodecylcarbamoylamino)-3-phenyl-N-pyridin-4-ylpropanamide
CID 10456550
(2S)-N-cyclopropyl-2-[[(2R)-2-methylsulfanylpropanoyl]amino]-3-phenylpropanamide
CID 95291680
3-phenyl-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 3986081
N-[1-[(4-aminocyclohexyl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide;dihydrochloride
CID 119474703

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The IUPAC name of (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide (CID 94798428) is (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide is O=C(Nc1ccncc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
The InChIKey is SRFIYBKMTRRNIG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-17(20-14-6-7-14)16(12-13-4-2-1-3-5-13)22-18(24)21-15-8-10-19-11-9-15/h1-5,8-11,14,16H,6-7,12H2,(H,20,23)(H2,19,21,22,24)/t16-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide?
(2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide has a molecular weight of 324.38 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-3-phenyl-2-(pyridin-4-ylcarbamoylamino)propanamide is sourced from PubChem (CID 94798428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).