N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide

C23H24N4O3 — CID 66814044

IUPACN-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OC(C)C)nc2)CO3)cn1
InChIInChI=1S/C23H24N4O3/c1-14(2)30-22-8-7-16(10-26-22)23(28)27-18-9-20-19(5-4-6-21(20)29-13-18)17-11-24-15(3)25-12-17/h4-8,10-12,14,18H,9,13H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyKORWJOHWQWTAPL-SFHVURJKSA-N
MW404.47 g/mol
LogP3.37
Rot. Bonds5

About N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide

N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 66814044) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID66814044
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OC(C)C)nc2)CO3)cn1
InChIInChI=1S/C23H24N4O3/c1-14(2)30-22-8-7-16(10-26-22)23(28)27-18-9-20-19(5-4-6-21(20)29-13-18)17-11-24-15(3)25-12-17/h4-8,10-12,14,18H,9,13H2,1-3H3,(H,27,28)/t18-/m0/s1
InChIKeyKORWJOHWQWTAPL-SFHVURJKSA-N
XLogP3.37
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide (CID 66814044) is N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide is Cc1ncc(-c2cccc3c2C[C@H](NC(=O)c2ccc(OC(C)C)nc2)CO3)cn1.
What is the InChIKey of N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is KORWJOHWQWTAPL-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14(2)30-22-8-7-16(10-26-22)23(28)27-18-9-20-19(5-4-6-21(20)29-13-18)17-11-24-15(3)25-12-17/h4-8,10-12,14,18H,9,13H2,1-3H3,(H,27,28)/t18-/m0/s1.
What are the key properties of N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-(2-methylpyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 66814044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).