N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide

C15H21FN6O2 — CID 119051968

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
SMILESCNC(=O)NC1CN(C(=O)NC2CCN(c3ncccc3F)C2)C1
InChIInChI=1S/C15H21FN6O2/c1-17-14(23)19-11-8-22(9-11)15(24)20-10-4-6-21(7-10)13-12(16)3-2-5-18-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,20,24)(H2,17,19,23)
InChIKeyBMQITLAGJDCWSV-UHFFFAOYSA-N
MW336.37 g/mol
LogP0.12
Rot. Bonds3

About N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide (PubChem CID 119051968) has the molecular formula C15H21FN6O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
PubChem CID119051968
Molecular FormulaC15H21FN6O2
Molecular Weight336.37 g/mol
Exact Mass336.17
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
SMILESCNC(=O)NC1CN(C(=O)NC2CCN(c3ncccc3F)C2)C1
InChIInChI=1S/C15H21FN6O2/c1-17-14(23)19-11-8-22(9-11)15(24)20-10-4-6-21(7-10)13-12(16)3-2-5-18-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,20,24)(H2,17,19,23)
InChIKeyBMQITLAGJDCWSV-UHFFFAOYSA-N
XLogP0.12
TPSA89.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide (CID 119051968) is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide is CNC(=O)NC1CN(C(=O)NC2CCN(c3ncccc3F)C2)C1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
The InChIKey is BMQITLAGJDCWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O2/c1-17-14(23)19-11-8-22(9-11)15(24)20-10-4-6-21(7-10)13-12(16)3-2-5-18-13/h2-3,5,10-11H,4,6-9H2,1H3,(H,20,24)(H2,17,19,23).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide?
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide is sourced from PubChem (CID 119051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).