[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate

C20H20ClN5O3 — CID 175217632

IUPAC[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1(CO)CCN(c2ccc(-c3nc(Cl)cc4ncccc34)cn2)CC1
InChIInChI=1S/C20H20ClN5O3/c21-16-10-15-14(2-1-7-23-15)18(25-16)13-3-4-17(24-11-13)26-8-5-20(12-27,6-9-26)29-19(22)28/h1-4,7,10-11,27H,5-6,8-9,12H2,(H2,22,28)
InChIKeyLGSAQOVBPXWEMN-UHFFFAOYSA-N
MW413.87 g/mol
LogP2.77
Rot. Bonds4

About [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate

[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate (PubChem CID 175217632) has the molecular formula C20H20ClN5O3 and a molecular weight of 413.87 g/mol. Its IUPAC name is [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate.

Molecular Properties

Compound Name[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate
PubChem CID175217632
Molecular FormulaC20H20ClN5O3
Molecular Weight413.87 g/mol
Exact Mass413.13
IUPAC Name[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate
SMILESNC(=O)OC1(CO)CCN(c2ccc(-c3nc(Cl)cc4ncccc34)cn2)CC1
InChIInChI=1S/C20H20ClN5O3/c21-16-10-15-14(2-1-7-23-15)18(25-16)13-3-4-17(24-11-13)26-8-5-20(12-27,6-9-26)29-19(22)28/h1-4,7,10-11,27H,5-6,8-9,12H2,(H2,22,28)
InChIKeyLGSAQOVBPXWEMN-UHFFFAOYSA-N
XLogP2.77
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.87
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 175209676
7-chloro-5-(4-methoxyphenyl)-1,6-naphthyridine
CID 102291117
[1-(2-amino-3-pyridinyl)-4-ethylpiperidin-4-yl] carbamate
CID 175116323
3-[(7-chloro-1,6-naphthyridin-5-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 166769956
(2-chloroquinolin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 8010507
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(morpholin-4-ylmethyl)piperidin-4-yl] carbamate
CID 175200533
(3aR,6aS)-5-[(7-chloro-1,6-naphthyridin-5-yl)amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 175054495
1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
CID 167914587
(4-aminoquinazolin-2-yl)methyl 6-(azepan-1-yl)pyridine-3-carboxylate
CID 38727411
(2-chloroquinolin-4-yl)-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methanone
CID 31399795
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-4-chloro-1,8-naphthyridine
CID 166335592
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227

Frequently Asked Questions

What is the IUPAC name of [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate?
The IUPAC name of [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate (CID 175217632) is [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate.
What is the SMILES notation for [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate?
The canonical SMILES for [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate is NC(=O)OC1(CO)CCN(c2ccc(-c3nc(Cl)cc4ncccc34)cn2)CC1.
What is the InChIKey of [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate?
The InChIKey is LGSAQOVBPXWEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O3/c21-16-10-15-14(2-1-7-23-15)18(25-16)13-3-4-17(24-11-13)26-8-5-20(12-27,6-9-26)29-19(22)28/h1-4,7,10-11,27H,5-6,8-9,12H2,(H2,22,28).
What are the key properties of [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate?
[1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate has a molecular weight of 413.87 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(7-chloro-1,6-naphthyridin-5-yl)-2-pyridinyl]-4-(hydroxymethyl)piperidin-4-yl] carbamate is sourced from PubChem (CID 175217632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).