ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate

C19H29N3O2 — CID 133469048

IUPACethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-24-19(23)17-8-5-11-20-18(17)21-16-9-12-22(13-10-16)14-15-6-3-4-7-15/h5,8,11,15-16H,2-4,6-7,9-10,12-14H2,1H3,(H,20,21)
InChIKeyAOZNNYMKYUMJNI-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.32
Rot. Bonds6

About ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate

ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate (PubChem CID 133469048) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
PubChem CID133469048
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Nameethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NC1CCN(CC2CCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-24-19(23)17-8-5-11-20-18(17)21-16-9-12-22(13-10-16)14-15-6-3-4-7-15/h5,8,11,15-16H,2-4,6-7,9-10,12-14H2,1H3,(H,20,21)
InChIKeyAOZNNYMKYUMJNI-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
ethyl 2-(oxan-3-ylamino)pyridine-3-carboxylate
CID 55188965
ethyl 2-[(1,1-dioxothian-3-yl)amino]pyridine-3-carboxylate
CID 63921994
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
ethyl 2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 106258348
ethyl 2-[(2-amino-1-cyclopentylethyl)amino]pyridine-3-carboxylate
CID 106738180
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
ethyl 2-(4-anilinopiperidin-1-yl)pyridine-3-carboxylate
CID 133468930
ethyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79106249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate (CID 133469048) is ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NC1CCN(CC2CCCC2)CC1.
What is the InChIKey of ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate?
The InChIKey is AOZNNYMKYUMJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-24-19(23)17-8-5-11-20-18(17)21-16-9-12-22(13-10-16)14-15-6-3-4-7-15/h5,8,11,15-16H,2-4,6-7,9-10,12-14H2,1H3,(H,20,21).
What are the key properties of ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate?
ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate has a molecular weight of 331.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(cyclopentylmethyl)piperidin-4-yl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 133469048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).