N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

C21H25N3O2 — CID 72879272

IUPACN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1COc2ccccc2C1
InChIInChI=1S/C21H25N3O2/c25-21(18-13-17-3-1-2-4-20(17)26-15-18)23-19-7-11-24(12-8-19)14-16-5-9-22-10-6-16/h1-6,9-10,18-19H,7-8,11-15H2,(H,23,25)
InChIKeyAFAAGVHINCEUSQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide

N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72879272) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72879272
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccncc2)CC1)C1COc2ccccc2C1
InChIInChI=1S/C21H25N3O2/c25-21(18-13-17-3-1-2-4-20(17)26-15-18)23-19-7-11-24(12-8-19)14-16-5-9-22-10-6-16/h1-6,9-10,18-19H,7-8,11-15H2,(H,23,25)
InChIKeyAFAAGVHINCEUSQ-UHFFFAOYSA-N
XLogP2.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134047840
N-(4-hydroxycyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 43392973
N-(4-bromocyclohexyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 114309203
1-N-phenyl-4-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
CID 138041926
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848169
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 72855778
3-(3,4-dihydro-2H-chromene-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 66030337
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
6-chloro-N-[1-(cyclopropylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 126767232
N-(1-benzylpiperidin-4-yl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384645
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 72879272) is N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NC1CCN(Cc2ccncc2)CC1)C1COc2ccccc2C1.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is AFAAGVHINCEUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(18-13-17-3-1-2-4-20(17)26-15-18)23-19-7-11-24(12-8-19)14-16-5-9-22-10-6-16/h1-6,9-10,18-19H,7-8,11-15H2,(H,23,25).
What are the key properties of N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide?
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72879272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).