6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide

C29H34N4O4 — CID 58310702

IUPAC6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1N(C)CCN1CCOCC1)CO2
InChIInChI=1S/C29H34N4O4/c1-32(11-12-33-13-15-36-16-14-33)27-19-22(21-7-9-30-10-8-21)3-5-26(27)31-29(34)24-17-23-18-25(35-2)4-6-28(23)37-20-24/h3-10,18-19,24H,11-17,20H2,1-2H3,(H,31,34)
InChIKeyCBLJOBDSTSFABB-UHFFFAOYSA-N
MW502.62 g/mol
LogP3.72
Rot. Bonds8

About 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 58310702) has the molecular formula C29H34N4O4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID58310702
Molecular FormulaC29H34N4O4
Molecular Weight502.62 g/mol
Exact Mass502.26
IUPAC Name6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1N(C)CCN1CCOCC1)CO2
InChIInChI=1S/C29H34N4O4/c1-32(11-12-33-13-15-36-16-14-33)27-19-22(21-7-9-30-10-8-21)3-5-26(27)31-29(34)24-17-23-18-25(35-2)4-6-28(23)37-20-24/h3-10,18-19,24H,11-17,20H2,1-2H3,(H,31,34)
InChIKeyCBLJOBDSTSFABB-UHFFFAOYSA-N
XLogP3.72
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.62
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[2-[2-(dimethylamino)ethyl-methylamino]-4-pyridin-4-ylphenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124566076
6-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 117076566
6-methoxy-N-[4-(5-methyl-1H-pyrazol-4-yl)-2-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310791
6-methoxy-N-[3-(piperidin-1-ylmethyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112821465
6-methoxy-N-(4-pyrrolidin-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 139003442
6-methoxy-N-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578278
6-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-4-(1H-pyrazol-4-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 117076137
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-(1H-pyrazol-4-yl)phenyl]-6-fluoro-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310645
7-methoxy-N-[4-pyridin-4-yl-2-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 117077764
(3S)-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-(1H-pyrazol-4-yl)phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 124636170
(3S)-N-(4-bromo-2-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 92713276
N-[4-(2-aminopyrimidin-4-yl)-2-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 58310901

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 58310702) is 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is COc1ccc2c(c1)CC(C(=O)Nc1ccc(-c3ccncc3)cc1N(C)CCN1CCOCC1)CO2.
What is the InChIKey of 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is CBLJOBDSTSFABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4/c1-32(11-12-33-13-15-36-16-14-33)27-19-22(21-7-9-30-10-8-21)3-5-26(27)31-29(34)24-17-23-18-25(35-2)4-6-28(23)37-20-24/h3-10,18-19,24H,11-17,20H2,1-2H3,(H,31,34).
What are the key properties of 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 502.62 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[methyl(2-morpholin-4-ylethyl)amino]-4-pyridin-4-ylphenyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 58310702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).