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

C22H27N3O2 — CID 72855778

IUPACN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-12-8-20(9-13-24)25(15-17-6-10-23-11-7-17)22(26)19-14-18-4-2-3-5-21(18)27-16-19/h2-7,10-11,19-20H,8-9,12-16H2,1H3
InChIKeyVILPSJMPJVKRJQ-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.76
Rot. Bonds4

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

N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 72855778) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID72855778
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCN1CCC(N(Cc2ccncc2)C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-24-12-8-20(9-13-24)25(15-17-6-10-23-11-7-17)22(26)19-14-18-4-2-3-5-21(18)27-16-19/h2-7,10-11,19-20H,8-9,12-16H2,1H3
InChIKeyVILPSJMPJVKRJQ-UHFFFAOYSA-N
XLogP2.76
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 95895548
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
N-ethyl-N-piperidin-4-yl-3,4-dihydro-2H-chromene-3-carboxamide
CID 63591250
N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72879272
[(3R)-3,4-dihydro-2H-chromen-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 95375095
N-benzyl-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 50968510
N-methyl-N-(1,2-oxazol-5-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 155965634
(3R)-N-ethyl-N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97279816
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
CID 174663762
N-benzyl-N-[2-(dimethylamino)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041165
N-[(2-bromophenyl)methyl]-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 46420250

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 72855778) is N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is CN1CCC(N(Cc2ccncc2)C(=O)C2COc3ccccc3C2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is VILPSJMPJVKRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-24-12-8-20(9-13-24)25(15-17-6-10-23-11-7-17)22(26)19-14-18-4-2-3-5-21(18)27-16-19/h2-7,10-11,19-20H,8-9,12-16H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 72855778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).