(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

C17H23N3O2 — CID 98161909

IUPAC(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccnc(OCC2CC2)c1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23N3O2/c21-17(20-10-14-3-4-15(20)7-14)19-9-13-5-6-18-16(8-13)22-11-12-1-2-12/h5-6,8,12,14-15H,1-4,7,9-11H2,(H,19,21)/t14-,15-/m0/s1
InChIKeyHVWMUAHTFFRULP-GJZGRUSLSA-N
MW301.39 g/mol
LogP2.56
Rot. Bonds5

About (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 98161909) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID98161909
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCc1ccnc(OCC2CC2)c1)N1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C17H23N3O2/c21-17(20-10-14-3-4-15(20)7-14)19-9-13-5-6-18-16(8-13)22-11-12-1-2-12/h5-6,8,12,14-15H,1-4,7,9-11H2,(H,19,21)/t14-,15-/m0/s1
InChIKeyHVWMUAHTFFRULP-GJZGRUSLSA-N
XLogP2.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

(2R)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-thiophen-3-ylmorpholine-4-carboxamide
CID 99618971
3-(4-chlorophenyl)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]prop-2-enamide
CID 72689438
1-benzyl-3-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111758635
1-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 111759192
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94871507
(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 96999867
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-3-methyl-5-nitroimidazol-4-amine
CID 56784891

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide (CID 98161909) is (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCc1ccnc(OCC2CC2)c1)N1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is HVWMUAHTFFRULP-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-17(20-10-14-3-4-15(20)7-14)19-9-13-5-6-18-16(8-13)22-11-12-1-2-12/h5-6,8,12,14-15H,1-4,7,9-11H2,(H,19,21)/t14-,15-/m0/s1.
What are the key properties of (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide?
(1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 98161909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).