(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

C17H23N3O3 — CID 6724752

IUPAC(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C17H23N3O3/c21-10-15(19-16(22)9-11-3-5-18-6-4-11)17(23)20-14-8-12-1-2-13(14)7-12/h3-6,12-15,21H,1-2,7-10H2,(H,19,22)(H,20,23)/t12?,13?,14?,15-/m0/s1
InChIKeyRZCUXDUVLUKDNH-BOADVZGGSA-N
MW317.39 g/mol
LogP0.41
Rot. Bonds6

About (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide

(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (PubChem CID 6724752) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
PubChem CID6724752
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
SMILESO=C(Cc1ccncc1)N[C@@H](CO)C(=O)NC1CC2CCC1C2
InChIInChI=1S/C17H23N3O3/c21-10-15(19-16(22)9-11-3-5-18-6-4-11)17(23)20-14-8-12-1-2-13(14)7-12/h3-6,12-15,21H,1-2,7-10H2,(H,19,22)(H,20,23)/t12?,13?,14?,15-/m0/s1
InChIKeyRZCUXDUVLUKDNH-BOADVZGGSA-N
XLogP0.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]naphthalene-2-carboxamide
CID 6667462
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 6724674
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 3345388
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanamide
CID 4685068
N-[1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide
CID 3544775
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]quinoxaline-2-carboxamide
CID 6723490
N-[(2S)-1-(2-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide
CID 6667457
(2S)-3-hydroxy-N-morpholin-4-yl-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724742
(2S)-3-hydroxy-N-(1,2-oxazol-3-yl)-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 6724762
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyridin-4-ylpropanamide
CID 124828623
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide
CID 4165771
N-(2-bicyclo[2.2.1]heptanyl)-2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-hydroxypropanamide
CID 4133859

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The IUPAC name of (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide (CID 6724752) is (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is O=C(Cc1ccncc1)N[C@@H](CO)C(=O)NC1CC2CCC1C2.
What is the InChIKey of (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
The InChIKey is RZCUXDUVLUKDNH-BOADVZGGSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-10-15(19-16(22)9-11-3-5-18-6-4-11)17(23)20-14-8-12-1-2-13(14)7-12/h3-6,12-15,21H,1-2,7-10H2,(H,19,22)(H,20,23)/t12?,13?,14?,15-/m0/s1.
What are the key properties of (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide?
(2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-[(2-pyridin-4-ylacetyl)amino]propanamide is sourced from PubChem (CID 6724752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).