CID 175963719

C17H24LiN4O4 — CID 175963719

IUPAC—
SMILESCC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(c2cnc(C(=O)O)cn2)C1.[Li]
InChIInChI=1S/C17H24N4O4.Li/c1-17(2,3)25-16(24)21(11-4-5-11)12-6-7-20(10-12)14-9-18-13(8-19-14)15(22)23;/h8-9,11-12H,4-7,10H2,1-3H3,(H,22,23);/t12-;/m1./s1
InChIKeyASHDBHNTOVAINI-UTONKHPSSA-N
MW355.34 g/mol
LogP1.77
Rot. Bonds4

About CID 175963719

CID 175963719 (PubChem CID 175963719) has the molecular formula C17H24LiN4O4 and a molecular weight of 355.34 g/mol.

Molecular Properties

Compound NameCID 175963719
PubChem CID175963719
Molecular FormulaC17H24LiN4O4
Molecular Weight355.34 g/mol
Exact Mass355.20
IUPAC Name—
SMILESCC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(c2cnc(C(=O)O)cn2)C1.[Li]
InChIInChI=1S/C17H24N4O4.Li/c1-17(2,3)25-16(24)21(11-4-5-11)12-6-7-20(10-12)14-9-18-13(8-19-14)15(22)23;/h8-9,11-12H,4-7,10H2,1-3H3,(H,22,23);/t12-;/m1./s1
InChIKeyASHDBHNTOVAINI-UTONKHPSSA-N
XLogP1.77
TPSA95.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyrazine-2-carboxylic acid
CID 166507581
lithium tert-butyl N-cyclopropyl-N-[(3R)-1-[5-(oxomethyl)pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 175506318
tert-butyl N-cyclopropyl-N-[1-[5-[(6-hydroxy-2-methylindazol-5-yl)carbamoyl]pyrazin-2-yl]pyrrolidin-3-yl]carbamate
CID 168891834
tert-butyl N-[1-(6-chloro-1,5-naphthyridin-2-yl)pyrrolidin-3-yl]-N-cyclopropylcarbamate
CID 162433725
6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidin-1-yl]pyridazine-3-carboxylic acid
CID 175506304
5-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrazine-2-carboxylic acid;hydrobromide
CID 173253748
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
methyl 5-bromo-6-[4-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118267207
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3-fluorocyclobutyl)carbamate
CID 167503935
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
tert-butyl N-[1-(6-chloropyridazin-3-yl)pyrrolidin-3-yl]-N-(3,3-difluorocyclobutyl)carbamate
CID 167504022
tert-butyl N-[1-(3-bromo-5-methyl-2-pyridinyl)piperidin-4-yl]-N-cyclohexylcarbamate
CID 118263665

Frequently Asked Questions

What is the IUPAC name of CID 175963719?
The IUPAC name of CID 175963719 (CID 175963719) is not available.
What is the SMILES notation for CID 175963719?
The canonical SMILES for CID 175963719 is CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(c2cnc(C(=O)O)cn2)C1.[Li].
What is the InChIKey of CID 175963719?
The InChIKey is ASHDBHNTOVAINI-UTONKHPSSA-N. The full InChI is InChI=1S/C17H24N4O4.Li/c1-17(2,3)25-16(24)21(11-4-5-11)12-6-7-20(10-12)14-9-18-13(8-19-14)15(22)23;/h8-9,11-12H,4-7,10H2,1-3H3,(H,22,23);/t12-;/m1./s1.
What are the key properties of CID 175963719?
CID 175963719 has a molecular weight of 355.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175963719 is sourced from PubChem (CID 175963719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).