N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C20H24N4O2 — CID 134034904

IUPACN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H24N4O2/c25-19(17-6-3-10-24(13-17)20-21-8-4-9-22-20)23-12-15-11-16-5-1-2-7-18(16)26-14-15/h1-2,4-5,7-9,15,17H,3,6,10-14H2,(H,23,25)
InChIKeyYBQGYODFNXGELT-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.06
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 134034904) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID134034904
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCC1COc2ccccc2C1)C1CCCN(c2ncccn2)C1
InChIInChI=1S/C20H24N4O2/c25-19(17-6-3-10-24(13-17)20-21-8-4-9-22-20)23-12-15-11-16-5-1-2-7-18(16)26-14-15/h1-2,4-5,7-9,15,17H,3,6,10-14H2,(H,23,25)
InChIKeyYBQGYODFNXGELT-UHFFFAOYSA-N
XLogP2.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96557148
(3R)-N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51672719
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
N-(2-piperidin-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55557554
(3R)-N-[(2S)-2,3-dihydroxypropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 41118231
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 97444843
[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 41091020
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 74237200

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 134034904) is N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(NCC1COc2ccccc2C1)C1CCCN(c2ncccn2)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is YBQGYODFNXGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(17-6-3-10-24(13-17)20-21-8-4-9-22-20)23-12-15-11-16-5-1-2-7-18(16)26-14-15/h1-2,4-5,7-9,15,17H,3,6,10-14H2,(H,23,25).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-ylmethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 134034904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).