N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide

C18H23N3O3 — CID 95228915

IUPACN-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC[C@H]2CN(Cc3ccco3)CCO2)cn1
InChIInChI=1S/C18H23N3O3/c1-14-4-5-15(11-20-14)18(22)19-7-6-17-13-21(8-10-24-17)12-16-3-2-9-23-16/h2-5,9,11,17H,6-8,10,12-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeySDPFKZOBBFQHCP-KRWDZBQOSA-N
MW329.40 g/mol
LogP2.00
Rot. Bonds6

About N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide

N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 95228915) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID95228915
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCC[C@H]2CN(Cc3ccco3)CCO2)cn1
InChIInChI=1S/C18H23N3O3/c1-14-4-5-15(11-20-14)18(22)19-7-6-17-13-21(8-10-24-17)12-16-3-2-9-23-16/h2-5,9,11,17H,6-8,10,12-13H2,1H3,(H,19,22)/t17-/m0/s1
InChIKeySDPFKZOBBFQHCP-KRWDZBQOSA-N
XLogP2.00
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide (CID 95228915) is N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCC[C@H]2CN(Cc3ccco3)CCO2)cn1.
What is the InChIKey of N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SDPFKZOBBFQHCP-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-4-5-15(11-20-14)18(22)19-7-6-17-13-21(8-10-24-17)12-16-3-2-9-23-16/h2-5,9,11,17H,6-8,10,12-13H2,1H3,(H,19,22)/t17-/m0/s1.
What are the key properties of N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-4-(furan-2-ylmethyl)morpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 95228915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).