N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide

C19H29N5O4 — CID 171385462

IUPACN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOCCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cncc(=O)[nH]2)N1CC1CC1
InChIInChI=1S/C19H29N5O4/c1-28-7-6-21-17(25)8-14-4-5-15(24(14)12-13-2-3-13)9-22-19(27)16-10-20-11-18(26)23-16/h10-11,13-15H,2-9,12H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t14-,15+/m1/s1
InChIKeyYBWZWNBXUHXIKU-CABCVRRESA-N
MW391.47 g/mol
LogP-0.10
Rot. Bonds10

About N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide

N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 171385462) has the molecular formula C19H29N5O4 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID171385462
Molecular FormulaC19H29N5O4
Molecular Weight391.47 g/mol
Exact Mass391.22
IUPAC NameN-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide
SMILESCOCCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cncc(=O)[nH]2)N1CC1CC1
InChIInChI=1S/C19H29N5O4/c1-28-7-6-21-17(25)8-14-4-5-15(24(14)12-13-2-3-13)9-22-19(27)16-10-20-11-18(26)23-16/h10-11,13-15H,2-9,12H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t14-,15+/m1/s1
InChIKeyYBWZWNBXUHXIKU-CABCVRRESA-N
XLogP-0.10
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide (CID 171385462) is N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide is COCCNC(=O)C[C@H]1CC[C@@H](CNC(=O)c2cncc(=O)[nH]2)N1CC1CC1.
What is the InChIKey of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is YBWZWNBXUHXIKU-CABCVRRESA-N. The full InChI is InChI=1S/C19H29N5O4/c1-28-7-6-21-17(25)8-14-4-5-15(24(14)12-13-2-3-13)9-22-19(27)16-10-20-11-18(26)23-16/h10-11,13-15H,2-9,12H2,1H3,(H,21,25)(H,22,27)(H,23,26)/t14-,15+/m1/s1.
What are the key properties of N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide?
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of -0.10, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidin-2-yl]methyl]-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 171385462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).