3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide

C18H26N6O2 — CID 163400362

IUPAC3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1cnc2cc(N3CCC(NC)CC3)ccn12
InChIInChI=1S/C18H26N6O2/c1-19-14-3-7-22(8-4-14)15-5-10-24-16(11-15)21-12-18(24)23(13-25)9-6-17(26)20-2/h5,10-14,19H,3-4,6-9H2,1-2H3,(H,20,26)
InChIKeyRCGQMHFMQOXBCA-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.62
Rot. Bonds7

About 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide

3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide (PubChem CID 163400362) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide
PubChem CID163400362
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)CCN(C=O)c1cnc2cc(N3CCC(NC)CC3)ccn12
InChIInChI=1S/C18H26N6O2/c1-19-14-3-7-22(8-4-14)15-5-10-24-16(11-15)21-12-18(24)23(13-25)9-6-17(26)20-2/h5,10-14,19H,3-4,6-9H2,1-2H3,(H,20,26)
InChIKeyRCGQMHFMQOXBCA-UHFFFAOYSA-N
XLogP0.62
TPSA81.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide?
The IUPAC name of 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide (CID 163400362) is 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide?
The canonical SMILES for 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide is CNC(=O)CCN(C=O)c1cnc2cc(N3CCC(NC)CC3)ccn12.
What is the InChIKey of 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide?
The InChIKey is RCGQMHFMQOXBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-19-14-3-7-22(8-4-14)15-5-10-24-16(11-15)21-12-18(24)23(13-25)9-6-17(26)20-2/h5,10-14,19H,3-4,6-9H2,1-2H3,(H,20,26).
What are the key properties of 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide?
3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide has a molecular weight of 358.45 g/mol, XLogP of 0.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl-[7-[4-(methylamino)piperidin-1-yl]imidazo[1,2-a]pyridin-3-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 163400362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).