N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide

C22H24N6O — CID 67469083

IUPACN-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nccnc1C1CN(c2ccc3ccccc3n2)C1)C1CCNCC1
InChIInChI=1S/C22H24N6O/c29-22(16-7-9-23-10-8-16)27-21-20(24-11-12-25-21)17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,11-12,16-17,23H,7-10,13-14H2,(H,25,27,29)
InChIKeyXRXWWHUOCUZGKU-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.57
Rot. Bonds4

About N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide

N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 67469083) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID67469083
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide
SMILESO=C(Nc1nccnc1C1CN(c2ccc3ccccc3n2)C1)C1CCNCC1
InChIInChI=1S/C22H24N6O/c29-22(16-7-9-23-10-8-16)27-21-20(24-11-12-25-21)17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,11-12,16-17,23H,7-10,13-14H2,(H,25,27,29)
InChIKeyXRXWWHUOCUZGKU-UHFFFAOYSA-N
XLogP2.57
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Wnt-974
CID 46926973
Las-101057
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N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
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1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
1-Phenyl-3-(2-(pyridin-2-yl)quinazolin-4-yl)urea
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7-[6-(Dimethylamino)pyridin-3-Yl]-~{n}-[[(3~{s})-Piperidin-3-Yl]methyl]pyrido[3,4-B]pyrazin-5-Amine
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1-Benzyl-9-quinoxalin-2-yl-1,9-diazaspiro[5.5]undecan-2-one
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N-(4-m-Tolylamino-pyrido[3,4-d]pyrimidin-6-yl)-acrylamide
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CID 16071901
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]piperidine-4-carboxylic Acid(2-Pyrrolidin-1-ylethyl)amide
CID 46900235
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide (CID 67469083) is N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide is O=C(Nc1nccnc1C1CN(c2ccc3ccccc3n2)C1)C1CCNCC1.
What is the InChIKey of N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is XRXWWHUOCUZGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(16-7-9-23-10-8-16)27-21-20(24-11-12-25-21)17-13-28(14-17)19-6-5-15-3-1-2-4-18(15)26-19/h1-6,11-12,16-17,23H,7-10,13-14H2,(H,25,27,29).
What are the key properties of N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide?
N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-quinolin-2-ylazetidin-3-yl)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67469083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).