(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H23N3O3 — CID 97124753

IUPAC(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NCCNc1cc(C)ccn1)C2
InChIInChI=1S/C19H23N3O3/c1-13-5-6-20-18(9-13)21-7-8-22-19(23)15-10-14-3-4-16(24-2)11-17(14)25-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23)/t15-/m0/s1
InChIKeyIOQUIRUBCGUQCR-HNNXBMFYSA-N
MW341.41 g/mol
LogP2.18
Rot. Bonds6

About (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97124753) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97124753
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)OC[C@@H](C(=O)NCCNc1cc(C)ccn1)C2
InChIInChI=1S/C19H23N3O3/c1-13-5-6-20-18(9-13)21-7-8-22-19(23)15-10-14-3-4-16(24-2)11-17(14)25-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23)/t15-/m0/s1
InChIKeyIOQUIRUBCGUQCR-HNNXBMFYSA-N
XLogP2.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72885940
(4S)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97275205
(3S)-N-[2-(4-fluorophenoxy)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050059
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99816809
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72901030
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
(3S)-7-methoxy-N-[2-(trifluoromethylsulfanyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050077
(3S)-7-methoxy-N-[3-(triazol-1-yl)propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97134116
7-methoxy-N-[3-[2-methoxyethyl(methyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 49194606
(3S)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97123548
(3S)-7-methoxy-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95175196

Frequently Asked Questions

What is the IUPAC name of (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97124753) is (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)OC[C@@H](C(=O)NCCNc1cc(C)ccn1)C2.
What is the InChIKey of (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IOQUIRUBCGUQCR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-5-6-20-18(9-13)21-7-8-22-19(23)15-10-14-3-4-16(24-2)11-17(14)25-12-15/h3-6,9,11,15H,7-8,10,12H2,1-2H3,(H,20,21)(H,22,23)/t15-/m0/s1.
What are the key properties of (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97124753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).