4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C24H30N4O4 — CID 163252100

IUPAC4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESC1CN(CC2CC2)CCO1.COc1cccc(OC)c1-c1c[nH]c2nc(NC=O)ccc12
InChIInChI=1S/C16H15N3O3.C8H15NO/c1-21-12-4-3-5-13(22-2)15(12)11-8-17-16-10(11)6-7-14(19-16)18-9-20;1-2-8(1)7-9-3-5-10-6-4-9/h3-9H,1-2H3,(H2,17,18,19,20);8H,1-7H2
InChIKeyIVLUSJMQPNVPOU-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.54
Rot. Bonds7

About 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 163252100) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID163252100
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESC1CN(CC2CC2)CCO1.COc1cccc(OC)c1-c1c[nH]c2nc(NC=O)ccc12
InChIInChI=1S/C16H15N3O3.C8H15NO/c1-21-12-4-3-5-13(22-2)15(12)11-8-17-16-10(11)6-7-14(19-16)18-9-20;1-2-8(1)7-9-3-5-10-6-4-9/h3-9H,1-2H3,(H2,17,18,19,20);8H,1-7H2
InChIKeyIVLUSJMQPNVPOU-UHFFFAOYSA-N
XLogP3.54
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.54
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 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 163252100) is 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is C1CN(CC2CC2)CCO1.COc1cccc(OC)c1-c1c[nH]c2nc(NC=O)ccc12.
What is the InChIKey of 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is IVLUSJMQPNVPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3.C8H15NO/c1-21-12-4-3-5-13(22-2)15(12)11-8-17-16-10(11)6-7-14(19-16)18-9-20;1-2-8(1)7-9-3-5-10-6-4-9/h3-9H,1-2H3,(H2,17,18,19,20);8H,1-7H2.
What are the key properties of 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 438.53 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 163252100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).