1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

C20H26N4O2 — CID 97374971

IUPAC1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2cccn2C)CC3)c1
InChIInChI=1S/C20H26N4O2/c1-22-11-6-15(14-22)18(25)21-17-5-7-20(17)8-12-24(13-9-20)19(26)16-4-3-10-23(16)2/h3-4,6,10-11,14,17H,5,7-9,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyPTNRYITXVMRXAO-QGZVFWFLSA-N
MW354.45 g/mol
LogP2.18
Rot. Bonds3

About 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide

1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (PubChem CID 97374971) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
PubChem CID97374971
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2cccn2C)CC3)c1
InChIInChI=1S/C20H26N4O2/c1-22-11-6-15(14-22)18(25)21-17-5-7-20(17)8-12-24(13-9-20)19(26)16-4-3-10-23(16)2/h3-4,6,10-11,14,17H,5,7-9,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1
InChIKeyPTNRYITXVMRXAO-QGZVFWFLSA-N
XLogP2.18
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(3R)-7-(pyridine-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374981
1-methyl-N-[7-(pyridine-4-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118744218
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylpyrrol-2-yl)methanone
CID 110197957
1-methyl-N-[(3S)-7-(pyridin-2-ylmethyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide
CID 97374960
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 63250656
[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 83619398
2,2-dimethyl-N-[2-(1-methylpyrrole-3-carbonyl)-2-azaspiro[4.5]decan-6-yl]cyclopropane-1-carboxamide
CID 166434293
9-(1-methylpyrrole-2-carbonyl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97123695
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
(3aR,6aR)-N,N,2-trimethyl-1'-(1-methylpyrrole-2-carbonyl)spiro[3,4,5,6a-tetrahydro-1H-cyclopenta[c]pyrrole-6,4'-piperidine]-3a-carboxamide
CID 124809354
N-[(3S,4S)-4-(hydroxymethyl)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
CID 91920850

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide (CID 97374971) is 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is Cn1ccc(C(=O)N[C@@H]2CCC23CCN(C(=O)c2cccn2C)CC3)c1.
What is the InChIKey of 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
The InChIKey is PTNRYITXVMRXAO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-22-11-6-15(14-22)18(25)21-17-5-7-20(17)8-12-24(13-9-20)19(26)16-4-3-10-23(16)2/h3-4,6,10-11,14,17H,5,7-9,12-13H2,1-2H3,(H,21,25)/t17-/m1/s1.
What are the key properties of 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide?
1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3R)-7-(1-methylpyrrole-2-carbonyl)-7-azaspiro[3.5]nonan-3-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 97374971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).