N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide

C15H24N4O2 — CID 94656519

IUPACN-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C15H24N4O2/c1-4-11(2)18-14(20)8-10-17-15(21)19-12(3)13-7-5-6-9-16-13/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1
InChIKeyXPCLMMCQOHRKHZ-RYUDHWBXSA-N
MW292.38 g/mol
LogP1.75
Rot. Bonds7

About N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide

N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide (PubChem CID 94656519) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
PubChem CID94656519
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide
SMILESCC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C15H24N4O2/c1-4-11(2)18-14(20)8-10-17-15(21)19-12(3)13-7-5-6-9-16-13/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1
InChIKeyXPCLMMCQOHRKHZ-RYUDHWBXSA-N
XLogP1.75
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
3-[(1-pyridin-2-ylethylcarbamoylamino)methyl]pentanoic acid
CID 81069764
1-(4-phenylbutyl)-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36520752
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
CID 51729582
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
4-amino-N-(1-pyridin-2-ylethyl)pentanamide;dihydrochloride
CID 120564208
N-butan-2-yl-3-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]propanamide
CID 110970995
(2S)-2-hydroxy-3-(1-pyridin-2-ylethylcarbamoylamino)propanoic acid
CID 107838423
1-[2-(3-fluorophenyl)ethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36962482

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide (CID 94656519) is N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide is CC[C@H](C)NC(=O)CCNC(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide?
The InChIKey is XPCLMMCQOHRKHZ-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-11(2)18-14(20)8-10-17-15(21)19-12(3)13-7-5-6-9-16-13/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,18,20)(H2,17,19,21)/t11-,12-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide?
N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-3-[[(1S)-1-pyridin-2-ylethyl]carbamoylamino]propanamide is sourced from PubChem (CID 94656519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).