ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate

C19H29N5O3 — CID 59785799

IUPACethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)C3)CC2)nc1
InChIInChI=1S/C19H29N5O3/c1-3-27-18(25)14-4-5-17(20-12-14)24-10-7-15(8-11-24)21-19(26)22-16-6-9-23(2)13-16/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,21,22,26)/t16-/m1/s1
InChIKeyYIUHBYLQTRMUJW-MRXNPFEDSA-N
MW375.47 g/mol
LogP1.23
Rot. Bonds5

About ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate

ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 59785799) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID59785799
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)C3)CC2)nc1
InChIInChI=1S/C19H29N5O3/c1-3-27-18(25)14-4-5-17(20-12-14)24-10-7-15(8-11-24)21-19(26)22-16-6-9-23(2)13-16/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,21,22,26)/t16-/m1/s1
InChIKeyYIUHBYLQTRMUJW-MRXNPFEDSA-N
XLogP1.23
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 6-[3-(hydroxymethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 62371889
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
ethyl 6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 115657940
ethyl 6-[4-(5-ethoxycarbonyl-2-pyridinyl)-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 32800544
4-[[[1-(5-ethoxycarbonyl-2-pyridinyl)azetidin-3-yl]carbamoylamino]methyl]benzoic acid
CID 122009646
ethyl 6-(4-pyrazol-1-ylpiperidin-1-yl)pyridine-3-carboxylate
CID 133277944
3-[[1-(5-ethoxycarbonyl-2-pyridinyl)azetidin-3-yl]carbamoylamino]propanoic acid
CID 122009643
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
ethyl 6-[(3S)-3-(methanesulfonamido)piperidin-1-yl]pyridine-3-carboxylate
CID 36834270
ethyl 6-[3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]azetidin-1-yl]pyridine-3-carboxylate;hydroiodide
CID 120972080
ethyl 6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyridine-3-carboxylate
CID 43599506

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate (CID 59785799) is ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)C3)CC2)nc1.
What is the InChIKey of ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is YIUHBYLQTRMUJW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-3-27-18(25)14-4-5-17(20-12-14)24-10-7-15(8-11-24)21-19(26)22-16-6-9-23(2)13-16/h4-5,12,15-16H,3,6-11,13H2,1-2H3,(H2,21,22,26)/t16-/m1/s1.
What are the key properties of ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate?
ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 59785799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).