azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate

C20H29N5O2 — CID 175071538

IUPACazane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate
SMILESN.O.O=C(NC1CCCN1c1cc(N2CCCC2)ccn1)c1ccccc1
InChIInChI=1S/C20H24N4O.H3N.H2O/c25-20(16-7-2-1-3-8-16)22-18-9-6-14-24(18)19-15-17(10-11-21-19)23-12-4-5-13-23;;/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,22,25);1H3;1H2
InChIKeyUTBRXJZVLONJSQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.38
Rot. Bonds4

About azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate

azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate (PubChem CID 175071538) has the molecular formula C20H29N5O2 and a molecular weight of 371.48 g/mol. Its IUPAC name is azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate.

Molecular Properties

Compound Nameazane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate
PubChem CID175071538
Molecular FormulaC20H29N5O2
Molecular Weight371.48 g/mol
Exact Mass371.23
IUPAC Nameazane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate
SMILESN.O.O=C(NC1CCCN1c1cc(N2CCCC2)ccn1)c1ccccc1
InChIInChI=1S/C20H24N4O.H3N.H2O/c25-20(16-7-2-1-3-8-16)22-18-9-6-14-24(18)19-15-17(10-11-21-19)23-12-4-5-13-23;;/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,22,25);1H3;1H2
InChIKeyUTBRXJZVLONJSQ-UHFFFAOYSA-N
XLogP2.38
TPSA114.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate?
The IUPAC name of azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate (CID 175071538) is azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate.
What is the SMILES notation for azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate?
The canonical SMILES for azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate is N.O.O=C(NC1CCCN1c1cc(N2CCCC2)ccn1)c1ccccc1.
What is the InChIKey of azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate?
The InChIKey is UTBRXJZVLONJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O.H3N.H2O/c25-20(16-7-2-1-3-8-16)22-18-9-6-14-24(18)19-15-17(10-11-21-19)23-12-4-5-13-23;;/h1-3,7-8,10-11,15,18H,4-6,9,12-14H2,(H,22,25);1H3;1H2.
What are the key properties of azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate?
azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate has a molecular weight of 371.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-[1-(4-pyrrolidin-1-yl-2-pyridinyl)pyrrolidin-2-yl]benzamide;hydrate is sourced from PubChem (CID 175071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).