N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide

C20H30N4O2 — CID 97476450

IUPACN-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1)N1CCCC1
InChIInChI=1S/C20H30N4O2/c25-19(24-11-1-2-12-24)22-14-18-4-3-7-20(26-18)8-13-23(16-20)15-17-5-9-21-10-6-17/h5-6,9-10,18H,1-4,7-8,11-16H2,(H,22,25)/t18-,20-/m1/s1
InChIKeyOMBLCTGTOZCXIN-UYAOXDASSA-N
MW358.49 g/mol
LogP2.40
Rot. Bonds4

About N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide

N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide (PubChem CID 97476450) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
PubChem CID97476450
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide
SMILESO=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1)N1CCCC1
InChIInChI=1S/C20H30N4O2/c25-19(24-11-1-2-12-24)22-14-18-4-3-7-20(26-18)8-13-23(16-20)15-17-5-9-21-10-6-17/h5-6,9-10,18H,1-4,7-8,11-16H2,(H,22,25)/t18-,20-/m1/s1
InChIKeyOMBLCTGTOZCXIN-UYAOXDASSA-N
XLogP2.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S,7S)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]ethanesulfonamide
CID 124895675
N-[[(5R,7R)-2-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-2-methylpropanamide
CID 97485203
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
N-[[(5R,7R)-2-benzyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155838049
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-(2,3,6-trifluorophenyl)acetamide
CID 126462517
2-(3-fluorophenyl)-N-[[(2R)-8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 125161801
N-[[(5R,7R)-2-acetyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155833747
N-[[(5S,7S)-2-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]furan-2-carboxamide
CID 124795577
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[(5S,7R)-2-methyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyridine-3-carboxamide
CID 124803680
1,1-dimethyl-3-[[(5R,7S)-2-[(1-methylpyrazol-4-yl)methyl]-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]urea;2,2,2-trifluoroacetic acid
CID 155854209

Frequently Asked Questions

What is the IUPAC name of N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide (CID 97476450) is N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide is O=C(NC[C@H]1CCC[C@]2(CCN(Cc3ccncc3)C2)O1)N1CCCC1.
What is the InChIKey of N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide?
The InChIKey is OMBLCTGTOZCXIN-UYAOXDASSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(24-11-1-2-12-24)22-14-18-4-3-7-20(26-18)8-13-23(16-20)15-17-5-9-21-10-6-17/h5-6,9-10,18H,1-4,7-8,11-16H2,(H,22,25)/t18-,20-/m1/s1.
What are the key properties of N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide?
N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R,7R)-2-(pyridin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97476450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).