4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide

C16H17N3O3 — CID 164629816

IUPAC4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2c[nH]c(C(N)=O)c2)CCOc2ccccc21
InChIInChI=1S/C16H17N3O3/c1-16(6-7-22-13-5-3-2-4-11(13)16)15(21)19-10-8-12(14(17)20)18-9-10/h2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21)/t16-/m1/s1
InChIKeyJAWMLKYYGZFJTO-MRXNPFEDSA-N
MW299.33 g/mol
LogP1.79
Rot. Bonds3

About 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide

4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide (PubChem CID 164629816) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide
PubChem CID164629816
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide
SMILESC[C@@]1(C(=O)Nc2c[nH]c(C(N)=O)c2)CCOc2ccccc21
InChIInChI=1S/C16H17N3O3/c1-16(6-7-22-13-5-3-2-4-11(13)16)15(21)19-10-8-12(14(17)20)18-9-10/h2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21)/t16-/m1/s1
InChIKeyJAWMLKYYGZFJTO-MRXNPFEDSA-N
XLogP1.79
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide (CID 164629816) is 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide is C[C@@]1(C(=O)Nc2c[nH]c(C(N)=O)c2)CCOc2ccccc21.
What is the InChIKey of 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide?
The InChIKey is JAWMLKYYGZFJTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(6-7-22-13-5-3-2-4-11(13)16)15(21)19-10-8-12(14(17)20)18-9-10/h2-5,8-9,18H,6-7H2,1H3,(H2,17,20)(H,19,21)/t16-/m1/s1.
What are the key properties of 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide?
4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-methyl-2,3-dihydrochromene-4-carbonyl]amino]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164629816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).