N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide

C17H19ClFN5O2 — CID 166749982

IUPACN-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1c(Cl)cnc2ccc(N3CCC(F)C3)nc12)N1CCC(O)C1
InChIInChI=1S/C17H19ClFN5O2/c18-12-7-20-13-1-2-14(23-5-3-10(19)8-23)21-16(13)15(12)22-17(26)24-6-4-11(25)9-24/h1-2,7,10-11,25H,3-6,8-9H2,(H,20,22,26)
InChIKeyPVLMSJRXMAVMJU-UHFFFAOYSA-N
MW379.82 g/mol
LogP2.43
Rot. Bonds2

About N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide

N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 166749982) has the molecular formula C17H19ClFN5O2 and a molecular weight of 379.82 g/mol. Its IUPAC name is N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
PubChem CID166749982
Molecular FormulaC17H19ClFN5O2
Molecular Weight379.82 g/mol
Exact Mass379.12
IUPAC NameN-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
SMILESO=C(Nc1c(Cl)cnc2ccc(N3CCC(F)C3)nc12)N1CCC(O)C1
InChIInChI=1S/C17H19ClFN5O2/c18-12-7-20-13-1-2-14(23-5-3-10(19)8-23)21-16(13)15(12)22-17(26)24-6-4-11(25)9-24/h1-2,7,10-11,25H,3-6,8-9H2,(H,20,22,26)
InChIKeyPVLMSJRXMAVMJU-UHFFFAOYSA-N
XLogP2.43
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.82
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[3-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 166750006
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-piperidin-4-ylpyrrol-3-yl)-1,5-naphthyridine
CID 166749994
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-(1-pyrrolidin-3-ylpyrazol-4-yl)-1,5-naphthyridine
CID 166749896
N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
CID 24995088
7-chloro-2-(3-fluoropyrrolidin-1-yl)-8-[1-(3-methoxy-3-methylcyclobutyl)pyrazol-4-yl]-1,5-naphthyridine
CID 146611846
2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
CID 74382249
1-[2-chloro-6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
CID 123690309
[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 66261197
(3R)-N-(2,6-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431144
5-chloro-2-(3-hydroxypyrrolidin-1-yl)pyridine-4-carboxylic acid
CID 114919590
2-[4-[4-[3-fluoro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
CID 166749933
6-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-[(3S)-3-fluoropyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566652

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide (CID 166749982) is N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide is O=C(Nc1c(Cl)cnc2ccc(N3CCC(F)C3)nc12)N1CCC(O)C1.
What is the InChIKey of N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is PVLMSJRXMAVMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O2/c18-12-7-20-13-1-2-14(23-5-3-10(19)8-23)21-16(13)15(12)22-17(26)24-6-4-11(25)9-24/h1-2,7,10-11,25H,3-6,8-9H2,(H,20,22,26).
What are the key properties of N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide?
N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 379.82 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 166749982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).