N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide

C23H29N3O2 — CID 134828689

IUPACN-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide
SMILESC/C=C/c1ccc([C@@H]2[C@H](CN(C(=O)c3ccncc3)C(C)C)N[C@@H]2CO)cc1
InChIInChI=1S/C23H29N3O2/c1-4-5-17-6-8-18(9-7-17)22-20(25-21(22)15-27)14-26(16(2)3)23(28)19-10-12-24-13-11-19/h4-13,16,20-22,25,27H,14-15H2,1-3H3/b5-4+/t20-,21+,22+/m0/s1
InChIKeyQNCZDHGJXDRFSF-DCPPSCAVSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds7

About N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide

N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide (PubChem CID 134828689) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide
PubChem CID134828689
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide
SMILESC/C=C/c1ccc([C@@H]2[C@H](CN(C(=O)c3ccncc3)C(C)C)N[C@@H]2CO)cc1
InChIInChI=1S/C23H29N3O2/c1-4-5-17-6-8-18(9-7-17)22-20(25-21(22)15-27)14-26(16(2)3)23(28)19-10-12-24-13-11-19/h4-13,16,20-22,25,27H,14-15H2,1-3H3/b5-4+/t20-,21+,22+/m0/s1
InChIKeyQNCZDHGJXDRFSF-DCPPSCAVSA-N
XLogP3.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-[[(2S,3R,4S)-4-(hydroxymethyl)-3-(4-prop-1-enylphenyl)azetidin-2-yl]methyl]-N-propan-2-ylbenzamide
CID 139032576
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylcyclobutanecarboxamide
CID 54651457
N-[[(2R,3R,4R)-4-(hydroxymethyl)-3-(4-prop-1-enylphenyl)azetidin-2-yl]methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 139032727
N-ethyl-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]pyridine-2-carboxamide
CID 54652030
N-[[(2S,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]pyridine-4-carboxamide
CID 54652057
N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-[(E)-prop-1-enyl]-4,5-dihydro-3H-6,1λ6,2-benzoxathiazocin-5-yl]methyl]-N-methylpyridine-4-carboxamide
CID 54625567
N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(2-methoxyacetyl)-3-phenylazetidin-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 54651466
N,N-dimethyl-4-[(E)-2-pyridin-4-ylethenyl]benzamide
CID 130185155
3-[4-[2-methylpropyl(propan-2-yl)carbamoyl]phenyl]prop-2-enoic acid
CID 76912119
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
N-[[(2S,3S,4S)-1-acetyl-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-(dimethylamino)-N-methylacetamide
CID 54652199
(2R,3R,4S)-2-(hydroxymethyl)-4-[[methyl(propanoyl)amino]methyl]-3-[4-[(E)-prop-1-enyl]phenyl]-N-propylazetidine-1-carboxamide
CID 54652115

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide (CID 134828689) is N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide is C/C=C/c1ccc([C@@H]2[C@H](CN(C(=O)c3ccncc3)C(C)C)N[C@@H]2CO)cc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide?
The InChIKey is QNCZDHGJXDRFSF-DCPPSCAVSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-5-17-6-8-18(9-7-17)22-20(25-21(22)15-27)14-26(16(2)3)23(28)19-10-12-24-13-11-19/h4-13,16,20-22,25,27H,14-15H2,1-3H3/b5-4+/t20-,21+,22+/m0/s1.
What are the key properties of N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide?
N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-N-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 134828689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).