N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

C19H22N4O2 — CID 22580782

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-19(21-16-13-15-5-1-2-6-17(15)25-14-16)23-11-9-22(10-12-23)18-7-3-4-8-20-18/h1-8,16H,9-14H2,(H,21,24)
InChIKeyLLOPVRLDGCRYRT-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.92
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 22580782) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID22580782
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1COc2ccccc2C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H22N4O2/c24-19(21-16-13-15-5-1-2-6-17(15)25-14-16)23-11-9-22(10-12-23)18-7-3-4-8-20-18/h1-8,16H,9-14H2,(H,21,24)
InChIKeyLLOPVRLDGCRYRT-UHFFFAOYSA-N
XLogP1.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclohexyl-N-(3,4-dihydro-2H-chromen-3-yl)piperazine-1-carboxamide
CID 22580756
N-(1-pyridin-2-ylpiperidin-4-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 47048730
4-(1,3-benzothiazol-2-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]piperidine-1-carboxamide
CID 124628939
N-[(1R,2S)-2-methylcyclohexyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 51642051
2-[ethyl-[3-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122027069
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
methyl (2R,6R)-4-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]-6-methylmorpholine-2-carboxylate
CID 124845359
1-[(3S)-3,4-dihydro-2H-chromen-3-yl]-3-[1-(4-ethyl-3-oxopyrazin-2-yl)piperidin-4-yl]urea
CID 129347080
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 22580782) is N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(NC1COc2ccccc2C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is LLOPVRLDGCRYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(21-16-13-15-5-1-2-6-17(15)25-14-16)23-11-9-22(10-12-23)18-7-3-4-8-20-18/h1-8,16H,9-14H2,(H,21,24).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 22580782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).