2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide

C16H17N3O2 — CID 135117035

IUPAC2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1COc2ccccc2C1
InChIInChI=1S/C16H17N3O2/c1-17-16(20)13-6-4-8-18-15(13)19-12-9-11-5-2-3-7-14(11)21-10-12/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeySLIXEDDSNFXFDJ-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.86
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide

2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide (PubChem CID 135117035) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide
PubChem CID135117035
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NC1COc2ccccc2C1
InChIInChI=1S/C16H17N3O2/c1-17-16(20)13-6-4-8-18-15(13)19-12-9-11-5-2-3-7-14(11)21-10-12/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19)
InChIKeySLIXEDDSNFXFDJ-UHFFFAOYSA-N
XLogP1.86
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxamide
CID 134703000
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
(2-amino-3-pyridinyl)-(3,4-dihydro-2H-chromen-3-yl)methanone
CID 65408944
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
2-[2-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-N-methylpyridine-3-carboxamide
CID 124750918
2-[(3aS,10aS)-10a-(hydroxymethyl)-3,3a,4,10-tetrahydro-1H-[1]benzoxepino[3,4-c]pyrrol-2-yl]-N-methylpyridine-3-carboxamide
CID 72868174
propan-2-yl 4-[[3-(methylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 133352925
N-(3,4-dihydro-2H-chromen-3-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 22580782

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide (CID 135117035) is 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1cccnc1NC1COc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is SLIXEDDSNFXFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-17-16(20)13-6-4-8-18-15(13)19-12-9-11-5-2-3-7-14(11)21-10-12/h2-8,12H,9-10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide?
2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-ylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 135117035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).