2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C19H23N7O3 — CID 162376467

IUPAC2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cnc([C@@H]2CCON2C(=O)C2CCN(c3nccc(C(N)=O)n3)CC2)cn1
InChIInChI=1S/C19H23N7O3/c1-12-10-23-15(11-22-12)16-5-9-29-26(16)18(28)13-3-7-25(8-4-13)19-21-6-2-14(24-19)17(20)27/h2,6,10-11,13,16H,3-5,7-9H2,1H3,(H2,20,27)/t16-/m0/s1
InChIKeyRTCOHEUQWNPHJO-INIZCTEOSA-N
MW397.44 g/mol
LogP0.80
Rot. Bonds4

About 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376467) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376467
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cnc([C@@H]2CCON2C(=O)C2CCN(c3nccc(C(N)=O)n3)CC2)cn1
InChIInChI=1S/C19H23N7O3/c1-12-10-23-15(11-22-12)16-5-9-29-26(16)18(28)13-3-7-25(8-4-13)19-21-6-2-14(24-19)17(20)27/h2,6,10-11,13,16H,3-5,7-9H2,1H3,(H2,20,27)/t16-/m0/s1
InChIKeyRTCOHEUQWNPHJO-INIZCTEOSA-N
XLogP0.80
TPSA127.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376467) is 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is Cc1cnc([C@@H]2CCON2C(=O)C2CCN(c3nccc(C(N)=O)n3)CC2)cn1.
What is the InChIKey of 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is RTCOHEUQWNPHJO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N7O3/c1-12-10-23-15(11-22-12)16-5-9-29-26(16)18(28)13-3-7-25(8-4-13)19-21-6-2-14(24-19)17(20)27/h2,6,10-11,13,16H,3-5,7-9H2,1H3,(H2,20,27)/t16-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).