N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide

C19H30N4O2 — CID 142429271

IUPACN-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCNc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-20-18-4-2-3-17(22-18)15-5-10-23(11-6-15)12-9-21-19(24)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyMAOSODQBBXGYHQ-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.85
Rot. Bonds6

About N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide

N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 142429271) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID142429271
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESCNc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1
InChIInChI=1S/C19H30N4O2/c1-20-18-4-2-3-17(22-18)15-5-10-23(11-6-15)12-9-21-19(24)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyMAOSODQBBXGYHQ-UHFFFAOYSA-N
XLogP1.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272888
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenyl-propylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884304
2-(4-{2-[4-(6-Amino-pyridin-2-yl)-phenyl]-ethyl}-piperazin-1-yl)-N-isopropyl-acetamide
CID 11417668
4-(2-propoxyethyl)-6-(pyridin-4-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267771
4-(cyclohexylmethyl)-6-(6-hydroxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269499
4-(2-ethoxyethyl)-6-(4-fluorophenyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45271142
4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272857
6-(4-fluorophenyl)-4-(2-propoxyethyl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272874
3-(4,6-Dimethyl-2-pyridinyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
CID 58938054
N-[[4-[4-(2-ethoxyethyl)piperazin-1-yl]oxan-4-yl]methyl]-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 126508789

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 142429271) is N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is CNc1cccc(C2CCN(CCNC(=O)C3CCOCC3)CC2)n1.
What is the InChIKey of N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is MAOSODQBBXGYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-20-18-4-2-3-17(22-18)15-5-10-23(11-6-15)12-9-21-19(24)16-7-13-25-14-8-16/h2-4,15-16H,5-14H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[6-(methylamino)-2-pyridinyl]piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 142429271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).