N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

C16H23N5O5 — CID 166236328

IUPACN-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCCNC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ncccc2O)C[C@H]1OC
InChIInChI=1S/C16H23N5O5/c1-3-17-16(25)20-10-8-21(9-12(10)26-2)13(23)7-19-15(24)14-11(22)5-4-6-18-14/h4-6,10,12,22H,3,7-9H2,1-2H3,(H,19,24)(H2,17,20,25)/t10-,12-/m1/s1
InChIKeyANMJDZOMIAMMTR-ZYHUDNBSSA-N
MW365.39 g/mol
LogP-0.94
Rot. Bonds6

About N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide

N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (PubChem CID 166236328) has the molecular formula C16H23N5O5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
PubChem CID166236328
Molecular FormulaC16H23N5O5
Molecular Weight365.39 g/mol
Exact Mass365.17
IUPAC NameN-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide
SMILESCCNC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ncccc2O)C[C@H]1OC
InChIInChI=1S/C16H23N5O5/c1-3-17-16(25)20-10-8-21(9-12(10)26-2)13(23)7-19-15(24)14-11(22)5-4-6-18-14/h4-6,10,12,22H,3,7-9H2,1-2H3,(H,19,24)(H2,17,20,25)/t10-,12-/m1/s1
InChIKeyANMJDZOMIAMMTR-ZYHUDNBSSA-N
XLogP-0.94
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide (CID 166236328) is N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is CCNC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ncccc2O)C[C@H]1OC.
What is the InChIKey of N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
The InChIKey is ANMJDZOMIAMMTR-ZYHUDNBSSA-N. The full InChI is InChI=1S/C16H23N5O5/c1-3-17-16(25)20-10-8-21(9-12(10)26-2)13(23)7-19-15(24)14-11(22)5-4-6-18-14/h4-6,10,12,22H,3,7-9H2,1-2H3,(H,19,24)(H2,17,20,25)/t10-,12-/m1/s1.
What are the key properties of N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide?
N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of -0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,4R)-3-(ethylcarbamoylamino)-4-methoxypyrrolidin-1-yl]-2-oxoethyl]-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 166236328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).