N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide

C17H18N2O3 — CID 97142134

IUPACN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccncc1)C2
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-14-8-12(11-22-16(14)9-15)10-19-17(20)13-4-6-18-7-5-13/h2-7,9,12H,8,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyJCKYSRFAUAUAMX-GFCCVEGCSA-N
MW298.34 g/mol
LogP2.07
Rot. Bonds4

About N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide

N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 97142134) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
PubChem CID97142134
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccncc1)C2
InChIInChI=1S/C17H18N2O3/c1-21-15-3-2-14-8-12(11-22-16(14)9-15)10-19-17(20)13-4-6-18-7-5-13/h2-7,9,12H,8,10-11H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyJCKYSRFAUAUAMX-GFCCVEGCSA-N
XLogP2.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 97268936
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridin-4-ylpropanamide
CID 97275705
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275918
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(2-methyltetrazol-5-yl)benzamide
CID 97118057
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(tetrazol-1-yl)benzamide
CID 97149544
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 97141702
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 97141701

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide (CID 97142134) is N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide is COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccncc1)C2.
What is the InChIKey of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is JCKYSRFAUAUAMX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-3-2-14-8-12(11-22-16(14)9-15)10-19-17(20)13-4-6-18-7-5-13/h2-7,9,12H,8,10-11H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide?
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 97142134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).