3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide

C20H25N5O2 — CID 154843691

IUPAC3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(Nc2ccncc2)cc1)N1CC(N2CC[C@@H](O)C2)C1
InChIInChI=1S/C20H25N5O2/c26-19-7-10-24(14-19)18-12-25(13-18)20(27)22-11-15-1-3-16(4-2-15)23-17-5-8-21-9-6-17/h1-6,8-9,18-19,26H,7,10-14H2,(H,21,23)(H,22,27)/t19-/m1/s1
InChIKeyPSNVMZWZLGUZOZ-LJQANCHMSA-N
MW367.45 g/mol
LogP1.79
Rot. Bonds5

About 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide

3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide (PubChem CID 154843691) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide
PubChem CID154843691
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide
SMILESO=C(NCc1ccc(Nc2ccncc2)cc1)N1CC(N2CC[C@@H](O)C2)C1
InChIInChI=1S/C20H25N5O2/c26-19-7-10-24(14-19)18-12-25(13-18)20(27)22-11-15-1-3-16(4-2-15)23-17-5-8-21-9-6-17/h1-6,8-9,18-19,26H,7,10-14H2,(H,21,23)(H,22,27)/t19-/m1/s1
InChIKeyPSNVMZWZLGUZOZ-LJQANCHMSA-N
XLogP1.79
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide (CID 154843691) is 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide is O=C(NCc1ccc(Nc2ccncc2)cc1)N1CC(N2CC[C@@H](O)C2)C1.
What is the InChIKey of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is PSNVMZWZLGUZOZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25N5O2/c26-19-7-10-24(14-19)18-12-25(13-18)20(27)22-11-15-1-3-16(4-2-15)23-17-5-8-21-9-6-17/h1-6,8-9,18-19,26H,7,10-14H2,(H,21,23)(H,22,27)/t19-/m1/s1.
What are the key properties of 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide?
3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 154843691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).