N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

C19H21FN6O2 — CID 126795682

IUPACN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C1CN(c2ccnc(C(=O)NC3CCN(c4ncccc4F)C3)c2)CCN1
InChIInChI=1S/C19H21FN6O2/c20-15-2-1-5-23-18(15)26-8-4-13(11-26)24-19(28)16-10-14(3-6-21-16)25-9-7-22-17(27)12-25/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,22,27)(H,24,28)
InChIKeyRBYZVWIKBXXKCG-UHFFFAOYSA-N
MW384.42 g/mol
LogP0.56
Rot. Bonds4

About N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 126795682) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
PubChem CID126795682
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC NameN-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
SMILESO=C1CN(c2ccnc(C(=O)NC3CCN(c4ncccc4F)C3)c2)CCN1
InChIInChI=1S/C19H21FN6O2/c20-15-2-1-5-23-18(15)26-8-4-13(11-26)24-19(28)16-10-14(3-6-21-16)25-9-7-22-17(27)12-25/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,22,27)(H,24,28)
InChIKeyRBYZVWIKBXXKCG-UHFFFAOYSA-N
XLogP0.56
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
N-(5-carbamoyl-2-fluorophenyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154743352
5-chloro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 126773696
N-(4-cyclopropyl-1,2,4-triazol-3-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 154736412
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(2-pyrrolidin-2-ylpyrimidin-4-yl)urea
CID 167977556
2-(dimethylamino)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84592874
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-(2,2-dimethyl-1-phenylpropyl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 166218398
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide
CID 126766253
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide (CID 126795682) is N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is O=C1CN(c2ccnc(C(=O)NC3CCN(c4ncccc4F)C3)c2)CCN1.
What is the InChIKey of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is RBYZVWIKBXXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O2/c20-15-2-1-5-23-18(15)26-8-4-13(11-26)24-19(28)16-10-14(3-6-21-16)25-9-7-22-17(27)12-25/h1-3,5-6,10,13H,4,7-9,11-12H2,(H,22,27)(H,24,28).
What are the key properties of N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide?
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-(3-oxopiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 126795682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).