(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

C19H25N3O4 — CID 97113013

IUPAC(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C19H25N3O4/c1-21-11-14(10-20-21)12-22(6-7-24-2)19(23)16-8-15-4-5-17(25-3)9-18(15)26-13-16/h4-5,9-11,16H,6-8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyXLLAZPANTONVNO-MRXNPFEDSA-N
MW359.43 g/mol
LogP1.65
Rot. Bonds7

About (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide

(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97113013) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97113013
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C19H25N3O4/c1-21-11-14(10-20-21)12-22(6-7-24-2)19(23)16-8-15-4-5-17(25-3)9-18(15)26-13-16/h4-5,9-11,16H,6-8,12-13H2,1-3H3/t16-/m1/s1
InChIKeyXLLAZPANTONVNO-MRXNPFEDSA-N
XLogP1.65
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 97113013) is (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1.
What is the InChIKey of (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is XLLAZPANTONVNO-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-21-11-14(10-20-21)12-22(6-7-24-2)19(23)16-8-15-4-5-17(25-3)9-18(15)26-13-16/h4-5,9-11,16H,6-8,12-13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97113013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).