N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide

C19H30N4O2 — CID 125013716

IUPACN-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnccn1)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-4-23(18(24)17-14-20-8-9-21-17)16-5-12-25-19(13-16)6-10-22(11-7-19)15(2)3/h8-9,14-16H,4-7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyWHAIDKZWVXFCDS-MRXNPFEDSA-N
MW346.48 g/mol
LogP2.36
Rot. Bonds4

About N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide

N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide (PubChem CID 125013716) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
PubChem CID125013716
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
SMILESCCN(C(=O)c1cnccn1)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C19H30N4O2/c1-4-23(18(24)17-14-20-8-9-21-17)16-5-12-25-19(13-16)6-10-22(11-7-19)15(2)3/h8-9,14-16H,4-7,10-13H2,1-3H3/t16-/m1/s1
InChIKeyWHAIDKZWVXFCDS-MRXNPFEDSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide
CID 125022942
N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide
CID 110151619
N-ethyl-N-[(2S,4S)-9-methyl-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 110136166
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
[4-(2-methoxyethoxy)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 91918141
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
N-cyclopropyl-N-[3-(diethylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3402919
N-ethyl-N-[(2S,4R)-2-[4-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]oxan-4-yl]pyrazine-2-carboxamide
CID 110130618
[(4S)-4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyrazin-2-ylmethanone
CID 125005681
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97450701
[(4S)-4-[benzyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-2-ylmethanone
CID 164638881
N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 110131080

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide (CID 125013716) is N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide is CCN(C(=O)c1cnccn1)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
The InChIKey is WHAIDKZWVXFCDS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-4-23(18(24)17-14-20-8-9-21-17)16-5-12-25-19(13-16)6-10-22(11-7-19)15(2)3/h8-9,14-16H,4-7,10-13H2,1-3H3/t16-/m1/s1.
What are the key properties of N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide?
N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 125013716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).