4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine

C30H39N9O5 — CID 159384885

About 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine

4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine (PubChem CID 159384885) has the molecular formula C30H39N9O5 and a molecular weight of 605.70 g/mol. Its IUPAC name is 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine.

Molecular Properties

• Compound Name: 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine
• PubChem CID: 159384885
• Molecular Formula: C30H39N9O5
• Molecular Weight: 605.70 g/mol
• Exact Mass: 605.31
• IUPAC Name: 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine
• SMILES: COC(=O)c1cc(N)ccn1.C[C@H]1COCCN1Cc1cc(N)ccn1.Nc1ccnc(C=O)c1.Nc1ccnc(CO)c1
• InChI: InChI=1S/C11H17N3O.C7H8N2O2.C6H8N2O.C6H6N2O/c1-9-8-15-5-4-14(9)7-11-6-10(12)2-3-13-11;1-11-7(10)6-4-5(8)2-3-9-6;2*7-5-1-2-8-6(3-5)4-9/h2-3,6,9H,4-5,7-8H2,1H3,(H2,12,13);2-4H,1H3,(H2,8,9);1-3,9H,4H2,(H2,7,8);1-4H,(H2,7,8)/t9-;;;/m0.../s1
• InChIKey: LLJGAIOWQKEVMV-DXYFNVQQSA-N
• XLogP: 1.97
• TPSA: 231.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.70
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine?

The IUPAC name of 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine (CID 159384885) is 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine.

What is the SMILES notation for 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine?

The canonical SMILES for 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine is COC(=O)c1cc(N)ccn1.C[C@H]1COCCN1Cc1cc(N)ccn1.Nc1ccnc(C=O)c1.Nc1ccnc(CO)c1.

What is the InChIKey of 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine?

The InChIKey is LLJGAIOWQKEVMV-DXYFNVQQSA-N. The full InChI is InChI=1S/C11H17N3O.C7H8N2O2.C6H8N2O.C6H6N2O/c1-9-8-15-5-4-14(9)7-11-6-10(12)2-3-13-11;1-11-7(10)6-4-5(8)2-3-9-6;2*7-5-1-2-8-6(3-5)4-9/h2-3,6,9H,4-5,7-8H2,1H3,(H2,12,13);2-4H,1H3,(H2,8,9);1-3,9H,4H2,(H2,7,8);1-4H,(H2,7,8)/t9-;;;/m0.../s1.

What are the key properties of 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine?

4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine has a molecular weight of 605.70 g/mol, XLogP of 1.97, 5 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminopyridine-2-carbaldehyde;(4-amino-2-pyridinyl)methanol;methyl 4-aminopyridine-2-carboxylate;2-[[(3S)-3-methylmorpholin-4-yl]methyl]pyridin-4-amine is sourced from PubChem (CID 159384885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).