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

C19H25N3O3 — CID 97146785

IUPAC(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C19H25N3O3/c1-4-21(11-14-10-20-22(5-2)12-14)19(23)16-8-15-6-7-17(24-3)9-18(15)25-13-16/h6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3/t16-/m1/s1
InChIKeyIPJBSTFWMRZGGC-MRXNPFEDSA-N
MW343.43 g/mol
LogP2.51
Rot. Bonds6

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

(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 97146785) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID97146785
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1
InChIInChI=1S/C19H25N3O3/c1-4-21(11-14-10-20-22(5-2)12-14)19(23)16-8-15-6-7-17(24-3)9-18(15)25-13-16/h6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3/t16-/m1/s1
InChIKeyIPJBSTFWMRZGGC-MRXNPFEDSA-N
XLogP2.51
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

(3R)-7-methoxy-N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113013
methyl 3-[ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]propanoate
CID 94821763
2-[2-(dimethylamino)ethyl-[(3R)-7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl]amino]acetic acid
CID 125153337
(3R)-N-cyclopropyl-7-methoxy-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050922
ethyl (3S)-7-methoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 86334083
1-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-3-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 122568154
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
(3R)-7-methoxy-N-methyl-N-(thiophen-3-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 95050038
methyl 2-[(7-methoxy-3,4-dihydro-2H-chromene-3-carbonyl)amino]acetate
CID 49192126
7-methoxy-N-methyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 49193904
7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 49163224
(3S)-7-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 96548155

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 97146785) is (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)[C@H]1COc2cc(OC)ccc2C1.
What is the InChIKey of (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IPJBSTFWMRZGGC-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-21(11-14-10-20-22(5-2)12-14)19(23)16-8-15-6-7-17(24-3)9-18(15)25-13-16/h6-7,9-10,12,16H,4-5,8,11,13H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
(3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-7-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 97146785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).