N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

C20H21FN4O3 — CID 69146777

IUPACN-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESNC1CN(C(=O)C2CC2)CC1NC(=O)c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C20H21FN4O3/c21-15-9-13(25-8-2-1-3-18(25)26)6-7-14(15)19(27)23-17-11-24(10-16(17)22)20(28)12-4-5-12/h1-3,6-9,12,16-17H,4-5,10-11,22H2,(H,23,27)
InChIKeyZMDVPFNHCHNCGD-UHFFFAOYSA-N
MW384.41 g/mol
LogP0.65
Rot. Bonds4

About N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide

N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 69146777) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID69146777
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC NameN-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
SMILESNC1CN(C(=O)C2CC2)CC1NC(=O)c1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C20H21FN4O3/c21-15-9-13(25-8-2-1-3-18(25)26)6-7-14(15)19(27)23-17-11-24(10-16(17)22)20(28)12-4-5-12/h1-3,6-9,12,16-17H,4-5,10-11,22H2,(H,23,27)
InChIKeyZMDVPFNHCHNCGD-UHFFFAOYSA-N
XLogP0.65
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-carbamoylcyclopentyl)-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 18453005
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
N-[(1S,2R)-2-[(4-chlorophenyl)carbamoyl]-4-oxocyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882863
N-[4-amino-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882554
N-[2-[(4-chlorophenyl)carbamoyl]-4-methylidenecyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882678
N-[2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 66882669
N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]-4-(dimethylamino)cyclopentyl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide
CID 58641583
N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 67307371
N-[(3R,4S)-1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]-1H-indole-6-carboxamide
CID 58845376
(1R,3S,4S)-3-amino-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1-carboxamide
CID 68687455
5-chloro-N-[1-(cyclopropanecarbonyl)-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidin-3-yl]thiophene-2-carboxamide
CID 67308477
tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 69437324

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide (CID 69146777) is N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is NC1CN(C(=O)C2CC2)CC1NC(=O)c1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is ZMDVPFNHCHNCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-15-9-13(25-8-2-1-3-18(25)26)6-7-14(15)19(27)23-17-11-24(10-16(17)22)20(28)12-4-5-12/h1-3,6-9,12,16-17H,4-5,10-11,22H2,(H,23,27).
What are the key properties of N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide?
N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 384.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-fluoro-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 69146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).