(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide

C20H25N3O3 — CID 99816809

IUPAC(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)NCCCNc1ccc(C)cn1)CO2
InChIInChI=1S/C20H25N3O3/c1-14-4-7-19(23-12-14)21-8-3-9-22-20(24)16-10-15-11-17(25-2)5-6-18(15)26-13-16/h4-7,11-12,16H,3,8-10,13H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyACOUKGUDJAOHHG-INIZCTEOSA-N
MW355.44 g/mol
LogP2.57
Rot. Bonds7

About (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 99816809) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID99816809
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C[C@H](C(=O)NCCCNc1ccc(C)cn1)CO2
InChIInChI=1S/C20H25N3O3/c1-14-4-7-19(23-12-14)21-8-3-9-22-20(24)16-10-15-11-17(25-2)5-6-18(15)26-13-16/h4-7,11-12,16H,3,8-10,13H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
InChIKeyACOUKGUDJAOHHG-INIZCTEOSA-N
XLogP2.57
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.57
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

6-methoxy-N-propyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578230
3-[(6-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]propanoic acid
CID 119350891
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
(3S)-7-methoxy-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97124753
(3S)-N-[3-(1-adamantyloxy)propyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713321
(3R)-N-(3-cyclohexyloxypropyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97149559
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]oxolane-3-carboxamide
CID 131922621
6-ethoxy-N-[2-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 86962053
6-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46968995
N-(1-amino-2-methylpropan-2-yl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 119523565
6-methoxy-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 70734368
N-[(3,4-dimethoxyphenyl)methyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578299

Frequently Asked Questions

What is the IUPAC name of (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 99816809) is (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)C[C@H](C(=O)NCCCNc1ccc(C)cn1)CO2.
What is the InChIKey of (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is ACOUKGUDJAOHHG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-4-7-19(23-12-14)21-8-3-9-22-20(24)16-10-15-11-17(25-2)5-6-18(15)26-13-16/h4-7,11-12,16H,3,8-10,13H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1.
What are the key properties of (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-methoxy-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 99816809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).