N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide

C11H16N4O2 — CID 87384573

IUPACN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide
SMILESCOc1nc(N2CCCC2NC=O)ccc1N
InChIInChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-10(14-11)15-6-2-3-9(15)13-7-16/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,16)
InChIKeyQHKLNOUJHDPINM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.34
Rot. Bonds4

About N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide

N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide (PubChem CID 87384573) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide
PubChem CID87384573
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide
SMILESCOc1nc(N2CCCC2NC=O)ccc1N
InChIInChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-10(14-11)15-6-2-3-9(15)13-7-16/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,16)
InChIKeyQHKLNOUJHDPINM-UHFFFAOYSA-N
XLogP0.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide (CID 87384573) is N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide is COc1nc(N2CCCC2NC=O)ccc1N.
What is the InChIKey of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide?
The InChIKey is QHKLNOUJHDPINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-11-8(12)4-5-10(14-11)15-6-2-3-9(15)13-7-16/h4-5,7,9H,2-3,6,12H2,1H3,(H,13,16).
What are the key properties of N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide?
N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide has a molecular weight of 236.27 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-6-methoxy-2-pyridinyl)pyrrolidin-2-yl]formamide is sourced from PubChem (CID 87384573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).